1,4-Butanediol

1,4-Butanediol

SCHEMBL3741340

CCOC(=O)CCCO.OCCCCO

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP4F2 P78329 5/20 0.50
CYP4A11 Q02928 5/20 0.50
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
NR1I2 O75469 1/20 0.48
PGR P06401 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
PTGS2 P35354 1/20 0.48
PDE4D Q08499 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TRPA1 O75762 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DGKA P23743 1/20 0.45

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
SCHEMBL6736 0.98
SCHEMBL28149215 0.95 CYP1A2 (0.61) CYP1A2CYP4F2CYP4A11GAAMGAM
Hydrochloric Acid SCHEMBL7860742 0.95 CYP1A2 (0.61) CYP1A2CYP4F2CYP4A11GAAMGAM
Ethylene Glycol SCHEMBL3734957 0.95 CYP1A2 (0.61) CYP1A2CYP4F2CYP4A11GAAMGAM
Water SCHEMBL3255554 0.95 CYP1A2 (0.61) CYP1A2CYP4F2CYP4A11GAAMGAM
SCHEMBL96188 0.95 CYP1A2 (0.61) CYP1A2CYP4F2CYP4A11GAAMGAM
Bromide SCHEMBL5608523 0.95 CYP1A2 (0.61) CYP1A2CYP4F2CYP4A11GAAMGAM
Ammonia Solution, Strong SCHEMBL10919642 0.95 CYP1A2 (0.61) CYP1A2CYP4F2CYP4A11GAAMGAM
SCHEMBL2559740 0.93 CYP1A2 (0.59) CYP1A2CYP4F2CYP4A11GAAMGAM
SCHEMBL3501621 0.93 CYP1A2 (0.59) CYP1A2CYP4F2CYP4A11GAAMGAM

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
US-7825178-B2 Leveling agent for floor polish and aqueous floor polish composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-02 US disclosed
US-20070289481-A1 Leveling Agent for Floor Polish and Aqueous Floor Polish Composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-12-20 US disclosed