1,4-Butanediol

1,4-Butanediol

SCHEMBL3728797

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

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
FFAR1 O14842 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
CAMK2A Q9UQM7 1/20 0.33
CPT2 P23786 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
ACHE P22303 3/20 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
Ethylene Glycol SCHEMBL3734256 0.92 CYP2D6 (0.38) FFAR1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL4329618 0.90 CYP2D6 (0.42) FFAR1CYP2D6TSHRCYP2C19HIF1A
1,4-Butanediol SCHEMBL3739733 0.85 ACHE (0.37) CYP4F2CYP4A11FFAR1CYP2D6TSHR
Di(Hydroxyethyl)Ether SCHEMBL3736317 0.85 ALDH1A1 (0.40) CYP4F2CYP4A11CYP2D6TSHRCYP2C19
1,4-Butanediol SCHEMBL3731858 0.84 ACHE (0.39) CYP4F2CYP4A11TSHRALDH1A1ACHE
SCHEMBL5346342 0.82 CYP2D6 (0.39) FFAR1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL315985 0.82 CYP2D6 (0.39) FFAR1CYP2D6TSHRCYP2C19HIF1A
Propylene Glycol SCHEMBL3728972 0.81 TDP1 (0.36) CYP2D6TSHRCYP2C19HIF1ATDP1
1,4-Butanediol SCHEMBL3743493 0.80 FFAR1 (0.38) CYP4F2CYP4A11FFAR1CYP2D6TSHR
SCHEMBL3713421 0.80 CAMK2A (0.36) CYP4F2CYP4A11FFAR1CYP2D6TSHR

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