Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of T-Butylacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| T-Butylacetic Acid SCHEMBL9222635 | 1.00 | HMGCR (0.58) | — | |
| T-Butylacetic Acid SCHEMBL71379 | 0.97 | — | — | |
| T-Butylacetic Acid SCHEMBL10950588 | 0.97 | HMGCR (0.61) | — | |
| T-Butylacetic Acid SCHEMBL28444777 | 0.93 | — | — | |
| T-Butylacetic Acid SCHEMBL973430 | 0.93 | — | — | |
| T-Butylacetic Acid SCHEMBL28565128 | 0.93 | — | — | |
| T-Butylacetic Acid SCHEMBL28334804 | 0.93 | — | — | |
| T-Butylacetic Acid SCHEMBL5979157 | 0.93 | — | — | |
| T-Butylacetic Acid SCHEMBL18258679 | 0.93 | — | — | |
| T-Butylacetic Acid SCHEMBL27713087 | 0.93 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2914600-A2 | FUNCTIONALIZED 9-BROMO-CAMPTOTHECIN DERIVATIVES | Nerviano Medical Sciences S.r.l. (IT) | 2015-09-09 | — | — | EP | claimed |
| WO-2014067960-A9 | FUNCTIONALIZED 9-BROMO-CAMPTOTHECIN DERIVATIVES | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2015-07-09 | — | — | WO | claimed |
| WO-2014067960-A2 | FUNCTIONALIZED 9-BROMO-CAMPTOTHECIN DERIVATIVES | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2014-05-08 | — | — | WO | claimed |
| JP-3227969-A | — | — | None | — | — | JP | disclosed |
| CN-110337442-B | Novel glucose derivatives as inhibitors of sodium-dependent glucose transporter type 2 | 东亚ST株式会社 | 2023-05-12 | — | — | CN | disclosed |
| EP-3990445-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF | InventisBio Co., Ltd. (CN) | 2022-05-04 | — | — | EP | disclosed |
| CN-114195631-A | Preparation process of 3, 3-dimethylbutyric acid | 大连奇凯医药科技有限公司 | 2022-03-18 | — | — | CN | disclosed |
| CN-113613730-A | Quinoline carboxamide derivative and process for producing intermediate for producing same | 株式会社益力多本社 | 2021-11-05 | — | — | CN | disclosed |
| WO-2020258006-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF | INVENTISBIO SHANGHAI LTD. (CN) | 2020-12-30 | — | — | WO | disclosed |
| EP-1592738-B1 | RESIN COMPOSITIONS | CIBA HOLDING INC (CH) | 2020-07-29 | — | — | EP | disclosed |
| CN-104755482-A | Functionalized 9-bromo-camptothecin derivatives | NERVIANO MEDICAL SCIENCES SRL | 2015-07-01 | — | — | CN | disclosed |
| EP-0478214-B1 | Novel peroxy ester, and polymerization initiator and curing agent using the ester | NIPPON OILS & FATS CO LTD (JP) | 1994-12-28 | — | — | EP | disclosed |
| US-5117047-A | Addition Polymerization Catalysts, Unsaturated Polyester Curing Agents | NIPPON OIL & FATS COMPANY LIMITED (JP) | 1992-05-26 | — | — | US | disclosed |
| EP-0486478-A2 | Renin-inhibiting peptides | THE UPJOHN COMPANY (US) | 1992-05-20 | — | — | EP | disclosed |
| EP-0478214-A2 | Novel peroxy ester, and polymerization initiator and curing agent using the ester | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1992-04-01 | — | — | EP | disclosed |
| JP-H03227969-A | ALPHA,ALPHA'-BIS(NEOHEXANOYLPEROXY)-DIISOPROPYLBENZENE, POLYMERIZATION INITIATOR AND POLYMERIZATION | NIPPON OIL & FATS CO LTD | 1991-10-08 | — | — | JP | disclosed |
| US-4880781-A | HYPOTENSIVE AGENTS | THE UPJOHN COMPANY (US) | 1989-11-14 | — | — | US | disclosed |
| EP-0173481-A2 | Peptides | THE UPJOHN COMPANY (US) | 1986-03-05 | — | — | EP | disclosed |
| US-4313957-A | Pesticidal sulfur containing amides derived from aniline and the method of preparation thereof | RHONE-POULENC AGROCHIMIE (FR) | 1982-02-02 | — | — | US | disclosed |
| US-4218447-A | CARDIOTONIC AGENTS | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1980-08-19 | — | — | US | disclosed |