Alcohol

Alcohol

SCHEMBL3830644

C1=CCCCCC=C1.CCO.[Ir]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

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.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Alcohol SCHEMBL28352951 0.97 ALDH1A1 (0.38) ALDH1A1TSHR
Alcohol SCHEMBL3948930 0.84
Cyclohexene SCHEMBL3317985 0.84
Cyclooctene SCHEMBL1536237 0.81 ALDH1A1 (0.40) ALDH1A1TSHR
Alcohol SCHEMBL3332380 0.81 ALDH1A1 (0.40) ALDH1A1TSHR
Alcohol SCHEMBL9632135 0.81 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL4800307 0.80
SCHEMBL5754268 0.80
SCHEMBL4800314 0.80
SCHEMBL17674956 0.80

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099801-A1 IMIDAZOÝ1,5-B¨PYRIDAZINAMIDO LIGANDS AND THEIR COMPLEXES AIKAA-Chemicals-GmbH (DE) 2009-09-16 EP disclosed
WO-2008061663-A1 IMIDAZO[1,5-B]PYRIDAZINAMIDO LIGANDS AND THEIR COMPLEXES UNIVERSITÄT BAYREUTH (DE) 2008-05-29 WO disclosed