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 | |
|---|---|---|---|---|
| SCHEMBL130327 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL17713287 | 0.95 | — | — | |
| Pyrrole SCHEMBL4493487 | 0.87 | — | — | |
| SCHEMBL29089480 | 0.85 | — | — | |
| SCHEMBL5700805 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL3434278 | 0.74 | — | — | |
| Isopropyl Alcohol SCHEMBL8848220 | 0.69 | — | — | |
| SCHEMBL8848132 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL8848669 | 0.68 | — | — | |
| SCHEMBL8848275 | 0.68 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2026047173-A1 | PROCESS FOR PREPARING SUSTAINABLE JET FUELS OR DIESEL FUELS; AND PRECURSORS THEREOF | Terra Mater BV (BE) | 2026-03-05 | — | — | WO | claimed |
| WO-2026047173-A1 | PROCESS FOR PREPARING SUSTAINABLE JET FUELS OR DIESEL FUELS; AND PRECURSORS THEREOF | Terra Mater BV (BE) | 2026-03-05 | — | — | WO | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-10954193-B2 | Substituted indole Mcl-1 inhibitors | VANDERBILT UNIVERSITY (US) | 2021-03-23 | — | — | US | disclosed |
| EP-3038618-B1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | UNIV VANDERBILT (US) | 2020-10-14 | — | — | EP | disclosed |
| EP-3083617-B1 | ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS | CHIESI FARM SPA (IT) | 2019-09-11 | — | — | EP | disclosed |
| US-20180258039-A1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | VANDERBILT UNIVERSITY | 2018-09-13 | — | — | US | disclosed |
| US-10005728-B2 | Substituted indole Mcl-1 inhibitors | VANDERBILT UNIVERSITY (US) | 2018-06-26 | — | — | US | disclosed |
| US-20160214934-A1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | VANDERBILT UNIVERSITY | 2016-07-28 | — | — | US | disclosed |
| EP-3038618-A1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | Vanderbilt University (US) | 2016-07-06 | — | — | EP | disclosed |
| US-9321776-B2 | Isochromene derivatives as phoshoinositide 3-kinases inhibitors | CHIESI FARMACEUTICI S.P.A. (IT) | 2016-04-26 | — | — | US | disclosed |
| US-20150166549-A1 | ISOCHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS | CHIESI FARMACEUTICI S.P.A. (IT) | 2015-06-18 | — | — | US | disclosed |
| WO-2015031608-A1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | VANDERBILT UNIVERSITY (US) | 2015-03-05 | — | — | WO | disclosed |