Butanol

Butanol

SCHEMBL18249458

CCC(C)O.CN(C)C=O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
GAPDH P04406 1/20 0.37
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
Propylene Glycol SCHEMBL28137109 0.83 TDP1 (0.56) TSHRTDP1ALOX15USP2ALDH1A1
Dimethylformamide SCHEMBL28206150 0.82 TSHR (0.56) TSHRTDP1ALDH1A1
Dimethylformamide SCHEMBL5861397 0.82
Dimethylformamide SCHEMBL14636376 0.81 TSHR (0.47) TSHRTDP1ALOX15USP2ALDH1A1
Butanol SCHEMBL10728027 0.79
Butanol SCHEMBL27397222 0.79
Butanol SCHEMBL27608698 0.78
Dimethylformamide SCHEMBL14247341 0.77 TSHR (0.43) TSHRGAPDHALDH1A1
Dimethylformamide SCHEMBL11281291 0.77 TSHR (0.43) TSHR
1,3-Butanediol SCHEMBL4830868 0.77 TSHR (0.43) TSHRTDP1ALOX15ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3297994-B1 NOVEL PROCESS FOR THE ETHERIFICATION OF BIS-RESORCINYL TRIAZINES DSM IP ASSETS BV (NL) 2019-11-20 EP claimed
EP-3297994-A1 NOVEL PROCESS FOR THE ETHERIFICATION OF BIS-RESORCINYOL TRIAZINES DSM IP Assets B.V. (NL) 2018-03-28 EP claimed
WO-2016184766-A1 NOVEL PROCESS FOR THE ETHERIFICATION OF BIS-RESORCINYOL TRIAZINES DSM IP ASSETS B.V. (NL) 2016-11-24 WO claimed
EP-3297994-B1 NOVEL PROCESS FOR THE ETHERIFICATION OF BIS-RESORCINYL TRIAZINES DSM IP ASSETS BV (NL) 2019-11-20 EP disclosed
EP-3297994-A1 NOVEL PROCESS FOR THE ETHERIFICATION OF BIS-RESORCINYOL TRIAZINES DSM IP Assets B.V. (NL) 2018-03-28 EP disclosed
WO-2016184766-A1 NOVEL PROCESS FOR THE ETHERIFICATION OF BIS-RESORCINYOL TRIAZINES DSM IP ASSETS B.V. (NL) 2016-11-24 WO disclosed