Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28140980 | 0.94 | CYP1A2 (0.42) | — | |
| SCHEMBL2936955 | 0.90 | ESR2 (0.46) | — | |
| SCHEMBL5461 | 0.90 | — | — | |
| Water SCHEMBL28134785 | 0.87 | — | — | |
| Alcohol SCHEMBL9329911 | 0.87 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL20579190 | 0.87 | — | — | |
| SCHEMBL6562400 | 0.87 | ESR2 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL8055914 | 0.87 | — | — | |
| SCHEMBL14277148 | 0.86 | ESR1 (0.42) | — | |
| SCHEMBL4890514 | 0.84 | ESR1 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100081693-A1 | THIADIAZOLE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-04-01 | — | — | US | disclosed |
| EP-2061789-A2 | THIADIAZOLE COMPOUND AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008032858-A2 | THIADIAZOLE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-03-20 | — | — | WO | disclosed |