1,3-Butanediol

1,3-Butanediol

SCHEMBL8093341

CC(O)CCO.CC(O)CCO.CC(O)CCO.OCCCCO

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 4/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 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
1,3-Butanediol SCHEMBL1415145 1.00 TDP1 (0.44) TDP1SMN1; SMN2TSHRALDH1A1LMNA
1,5-Pentanediol SCHEMBL6423642 0.97 TSHR (0.43) TDP1SMN1; SMN2TSHRALDH1A1LMNA
1,3-Butanediol SCHEMBL28244301 0.97 TSHR (0.43) TDP1SMN1; SMN2TSHRALDH1A1LMNA
1,6-Hexanediol SCHEMBL2190350 0.97 TSHR (0.43) TDP1SMN1; SMN2TSHRALDH1A1LMNA
1,3-Butanediol SCHEMBL3458713 0.94 TDP1 (0.44) TDP1SMN1; SMN2TSHRALDH1A1LMNA
1,3-Butanediol SCHEMBL222874 0.90
1,3-Butanediol SCHEMBL3427715 0.90 TDP1 (0.53) TDP1TSHRALDH1A1LMNATHRB
1,3-Butanediol SCHEMBL227565 0.90
1,3-Butanediol SCHEMBL8176 0.90
1,3-Butanediol SCHEMBL9614790 0.89 TSHR (0.43) TDP1SMN1; SMN2TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061896-A1 COSMETIC METHOD OF TREATING SKIN UNILEVER PLC (GB) 2000-12-27 EP disclosed
US-6042841-A Cosmetic method of treating skin UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. (US) 2000-03-28 US disclosed
US-6036963-A COSMETICS FOR SKIN WITH RETINOL, RETINOIC ACID, RETINAL, RETINYL ESTER AND MIXTURES WITH LACTONES AND VEHICLES CHESEBROUGH-PONDS'S USA CO., DIVISION OF CONOPCO, INC. (US) 2000-03-14 US disclosed
WO-1999055300-A1 SKIN CARE COSMETIC COMPOSITIONS UNILEVER PLC (GB) 1999-11-04 WO disclosed
WO-1999047110-A1 COSMETIC METHOD OF TREATING SKIN UNILEVER PLC (GB) 1999-09-23 WO disclosed