1,4-Butanediol

1,4-Butanediol

SCHEMBL3732396

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

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 6/20 0.36
GPR84 Q9NQS5 4/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 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
Ethylene Glycol SCHEMBL3731105 0.95 TDP1 (0.41) TDP1ACHEGPR84TP53TSHR
SCHEMBL3741928 0.94 TSHR (0.40) TDP1ACHETP53TSHRMMP9
SCHEMBL3742170 0.94 TSHR (0.40) TDP1ACHETP53TSHRMMP9
1,4-Butanediol SCHEMBL3734520 0.92 TDP1 (0.41) TDP1ACHEGPR84SMN1; SMN2
Di(Hydroxyethyl)Ether SCHEMBL3729166 0.91 TSHR (0.46) TDP1ACHEGPR84TP53TSHR
Triethylene Glycol SCHEMBL3742223 0.90 TSHR (0.44) TDP1ACHEGPR84TP53TSHR
Tetraethylene Glycol SCHEMBL3736955 0.90 TSHR (0.44) TDP1ACHEGPR84TP53TSHR
SCHEMBL27619678 0.89 TDP1 (0.43) TDP1GPR84TP53TSHRHCAR2
SCHEMBL3460766 0.89 TDP1 (0.46) TDP1GPR84SMN1; SMN2
Propylene Glycol SCHEMBL3732522 0.88 TDP1 (0.37) TDP1GPR84TP53TSHRHCAR2

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