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 | |
|---|---|---|---|---|
| Propanol SCHEMBL1866158 | 0.89 | ALDH1A1 (0.35) | — | |
| Isobutanol SCHEMBL23795334 | 0.88 | TSHR (0.53) | — | |
| Ethylene Glycol SCHEMBL29111379 | 0.88 | TSHR (0.37) | — | |
| SCHEMBL16240 | 0.87 | — | — | |
| SCHEMBL2499215 | 0.87 | ADH1B (0.38) | — | |
| SCHEMBL1330501 | 0.87 | — | — | |
| Butanedione SCHEMBL16826521 | 0.86 | ALDH1A1 (0.39) | — | |
| Methane SCHEMBL9155168 | 0.84 | — | — | |
| SCHEMBL10389153 | 0.84 | — | — | |
| SCHEMBL9570709 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143468-B2 | Process for preparing 3-methylbut-1-ene | EVONIK OXENO GMBH (DE) | 2012-03-27 | — | — | US | disclosed |
| US-20090163687-A1 | PROCESS FOR PREPARING 3-METHYLBUT-1-ENE | EVONIK OXENO GMBH (DE) | 2009-06-25 | — | — | US | disclosed |