1,4-Butanediol

1,4-Butanediol

SCHEMBL3733202

CCOC(C(=O)O)C(CC(=O)O)C(=O)O.OCCCCO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
GPR84 Q9NQS5 5/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
CAMK2A Q9UQM7 1/20 0.30
PGD P52209 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
Ethylene Glycol SCHEMBL3746397 0.93 TDP1 (0.46) TDP1PGDMMP1MMP2MMP3
SCHEMBL6671589 0.91 TDP1 (0.52) TDP1GPR84FFAR1PGDMMP1
Di(Hydroxyethyl)Ether SCHEMBL3728903 0.87 TDP1 (0.41) TDP1
1,4-Butanediol SCHEMBL3734520 0.87 TDP1 (0.41) TDP1GPR84FFAR1FFAR4
1,4-Butanediol SCHEMBL3732396 0.85 TDP1 (0.39) TDP1GPR84MMP9MMP13
Propylene Glycol SCHEMBL3731773 0.85 TDP1 (0.42) TDP1PGDMMP1MMP2MMP3
1,4-Butanediol SCHEMBL3731758 0.82 TDP1 (0.46) TDP1GPR84FFAR1FFAR4CAMK2A
SCHEMBL3460766 0.82 TDP1 (0.46) TDP1GPR84FFAR1FFAR4CAMK2A
SCHEMBL3742170 0.81 TSHR (0.40) TDP1CYP4F2CYP4A11MMP9MMP13
SCHEMBL3741928 0.81 TSHR (0.40) TDP1CYP4F2CYP4A11MMP9MMP13

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