1,4-Butanediol

1,4-Butanediol

SCHEMBL11552182

OCCCC(CO)CO.OCCCCO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.33

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
1,5-Pentanediol SCHEMBL484475 0.97 LMNA (0.48) LMNAALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL28113715 0.97 LMNA (0.48) LMNAALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL15027 0.97
Fluoride SCHEMBL29105251 0.93 ALDH1A1 (0.43) LMNAALDH1A1TSHRTHRB
Bromide SCHEMBL28652114 0.93 ALDH1A1 (0.43) LMNAALDH1A1TSHRTHRB
Hydrochloric Acid SCHEMBL28371184 0.93 ALDH1A1 (0.43) LMNAALDH1A1TSHRTHRB
Methane SCHEMBL28710214 0.93 ALDH1A1 (0.43) LMNAALDH1A1TSHRTHRB
SCHEMBL28432772 0.93 ALDH1A1 (0.43) LMNAALDH1A1TSHRTHRB
SCHEMBL28542287 0.93 ALDH1A1 (0.43) LMNAALDH1A1TSHRTHRB
SCHEMBL11269573 0.93 ALDH1A1 (0.43) LMNAALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023074676-A1 POLYOL COMPOSITION FOR POLYURETHANE FOAM 東ソー株式会社 2023-05-04 WO disclosed
CN-109486435-A A kind of heat-resisting electroconductive resin glue and preparation method thereof 郭天笑 2019-03-19 CN disclosed
US-4153777-A Polyurethane and method of making GOODYEAR AEROSPACE CORPORATION (US) 1979-05-08 US disclosed