Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| Water SCHEMBL3827178 | 1.00 | THRB (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL28440228 | 0.94 | THRB (0.46) | — | |
| SCHEMBL8968 | 0.94 | — | — | |
| SCHEMBL27028519 | 0.94 | THRB (0.55) | — | |
| SCHEMBL504018 | 0.94 | THRB (0.55) | — | |
| SCHEMBL789340 | 0.88 | — | — | |
| SCHEMBL402114 | 0.88 | THRB (0.50) | — | |
| Hydrochloric Acid SCHEMBL7537660 | 0.88 | — | — | |
| SCHEMBL21494164 | 0.88 | THRB (0.50) | — | |
| SCHEMBL1163579 | 0.88 | THRB (0.50) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0064180-B1 | PROCESS FOR THE PREPARATION OF 2,3-DIMETHYLBUTANE-2,3-DIOL | BAYER AG (DE) | 1984-06-27 | — | — | EP | claimed |
| US-4410743-A | Process for the preparation of 2,3-dimethylbutane-2,3-diol | BAYER AKTIENGESELLSCHAFT (DE) | 1983-10-18 | — | — | US | claimed |
| EP-0064180-A1 | Process for the preparation of 2,3-dimethylbutane-2,3-diol | BAYER AG (DE) | 1982-11-10 | — | — | EP | claimed |
| US-20250304538-A1 | PROCESS OF PREPARING REMIBRUTINIB SUBSTANTIALLY FREE OF NITROSAMINE IMPURITY | NOVARTIS AG (CH) | 2025-10-02 | — | — | US | disclosed |
| EP-4594306-A1 | SYNTHESIS METHODS AND INTERMEDIATES FOR THE PRODUCTION OF REMIBRUTINIB | Novartis AG (CH) | 2025-08-06 | — | — | EP | disclosed |
| US-20250243170-A1 | REMIBRUTINIB DRUG SUBSTANCE AND DRUG PRODUCT SUBSTANTIALLY FREE OF NITROSAMINE IMPURITY | NOVARTIS AG (CH) | 2025-07-31 | — | — | US | disclosed |
| CN-119998265-A | Synthetic methods and intermediates for the production of rebaudinib | 诺华股份有限公司 | 2025-05-13 | — | — | CN | disclosed |
| WO-2024069507-A1 | SYNTHESIS METHODS AND INTERMEDIATES FOR THE PRODUCTION OF REMIBRUTINIB | NOVARTIS AG (CH) | 2024-04-04 | — | — | WO | disclosed |
| CN-108601755-B | Composition for preventing or treating myasthenia-related diseases comprising pinol hydrate | 韩国生命工学研究院 | 2021-08-10 | — | — | CN | disclosed |
| WO-2015020689-A1 | CATALYSTS, COMPOSITIONS CONTAINING THE CATALYSTS, AND METHODS FOR THE PREPARATION THEREOF | DOW CORNING CORPORATION (US) | 2015-02-12 | — | — | WO | disclosed |
| CN-203393064-U | Pinacol vacuum dehydration, rectification and purification system | HUNAN DACHENG PHARMACEUTICAL AND CHEMICAL CO LTD | 2014-01-15 | — | — | CN | disclosed |
| CN-103408397-A | Vacuum dewatering-rectifying purifying process of pinacol | HUNAN DACHENG PHARMACEUTICAL AND CHEMICAL CO LTD | 2013-11-27 | — | — | CN | disclosed |
| EP-0064180-B1 | PROCESS FOR THE PREPARATION OF 2,3-DIMETHYLBUTANE-2,3-DIOL | BAYER AG (DE) | 1984-06-27 | — | — | EP | disclosed |
| US-4410743-A | Process for the preparation of 2,3-dimethylbutane-2,3-diol | BAYER AKTIENGESELLSCHAFT (DE) | 1983-10-18 | — | — | US | disclosed |
| EP-0064180-A1 | Process for the preparation of 2,3-dimethylbutane-2,3-diol | BAYER AG (DE) | 1982-11-10 | — | — | EP | disclosed |
| US-4020010-A | TRANSESTERIFICATION CATALYSTSCOMPLEXING WITH STANNOUS CARBOXYLATE | BASF WYANDOTTE CORPORATION (US) | 1977-04-26 | — | — | US | disclosed |
| US-4018708-A | TRANSESTERIFICATION CATALYSTS | BASF WYANDOTTE CORPORATION (US) | 1977-04-19 | — | — | US | disclosed |