1,4-Butanediol

1,4-Butanediol

SCHEMBL5986604

OCCCCO.OCCO.OCCO

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GPR84 Q9NQS5 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CAMK2A Q9UQM7 1/20 0.38
MIF P14174 1/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
KDM4E B2RXH2 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
1,4-Butanediol SCHEMBL237716 1.00 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,4-Butanediol SCHEMBL11111887 1.00 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
Ethylene Glycol SCHEMBL3111336 0.94 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,4-Butanediol SCHEMBL3881899 0.94 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,5-Pentanediol SCHEMBL151905 0.94 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,6-Hexanediol SCHEMBL8519092 0.94 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,4-Butanediol SCHEMBL4487023 0.94 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,6-Hexanediol SCHEMBL2564661 0.94 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,4-Butanediol SCHEMBL18642509 0.94 SMN1; SMN2 (0.58) TSHRSMN1; SMN2ALDH1A1LMNAHSD17B10
1,4-Butanediol SCHEMBL324322 0.94 SMN1; SMN2 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026433-B2 Continuous bioreactor process for the preparation of polyester cyclic oligomers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-04-11 US disclosed
US-20050054809-A1 Continuous bioreactor process for the preparation of polyester cyclic oligomers E. I. DU PONT DE NEMOURS AND COMPANY 2005-03-10 US disclosed