1,4-Butanediol

1,4-Butanediol

SCHEMBL10668407

OCC#CCO.OCCCCO

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MIF P14174 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CAMK2A Q9UQM7 1/20 0.30

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
SCHEMBL4534685 0.87
1,4-Butanediol SCHEMBL29204131 0.87 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL4526359 0.84 LMNA (0.36) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL4528983 0.82
1,4-Butanediol SCHEMBL28482073 0.82
SCHEMBL148914 0.82
SCHEMBL29131062 0.77
SCHEMBL28662436 0.77
SCHEMBL29165409 0.77
1,4-Butanediol SCHEMBL18642519 0.76 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4789600-A POLYURETHANE INTERFACE SAINT-GOBAIN VITRAGE (FR) 1988-12-06 US disclosed