1,4-Butanediol

1,4-Butanediol

SCHEMBL3881899

OCCCCO.OCCCO.OCCO

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CAMK2A Q9UQM7 1/20 0.35
MIF P14174 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
KDM4E B2RXH2 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
1,4-Butanediol SCHEMBL5986604 0.94 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,3-Propanediol SCHEMBL388191 0.94
1,4-Butanediol SCHEMBL11111887 0.94 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,4-Butanediol SCHEMBL321310 0.94 SMN1; SMN2 (0.54) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,4-Butanediol SCHEMBL237716 0.94 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,6-Hexanediol SCHEMBL8519092 0.89 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,5-Pentanediol SCHEMBL151905 0.89 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,3-Propanediol SCHEMBL9233835 0.89 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
Ethylene Glycol SCHEMBL3111336 0.89 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,6-Hexanediol SCHEMBL3183121 0.89 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10

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
US-7479248-B2 Vessel prostheses or patches made from biocompatible polymers ADIAM LIFE SCIENCE AG (DE) 2009-01-20 US disclosed
US-20060122699-A1 Vessel prostheses or patches made from biocompatible polymers ADIAM LIFE SCIENCE AG (DE) 2006-06-08 US disclosed
US-6034202-A MIXING ACID CHLORIDE OR ACID BROMIDE SALT AND METAL ALKOXIDE ALLIEDSIGNAL INC. (US) 2000-03-07 US disclosed