1,4-Butanediol

1,4-Butanediol

SCHEMBL3739733

CCCOC(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 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.37
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
Ethylene Glycol SCHEMBL3738508 0.93 ALDH1A1 (0.36) ACHEALDH1A1LMNACYP2D6TSHR
1,4-Butanediol SCHEMBL3731858 0.91 ACHE (0.39) ACHECYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL9484651 0.91 CYP2C19 (0.39) ALDH1A1LMNACYP2D6TSHRCYP2C19
Di(Hydroxyethyl)Ether SCHEMBL3731298 0.88 TSHR (0.39) ACHECYP4F2CYP4A11ALDH1A1LMNA
Ethylene Glycol SCHEMBL3736370 0.86 TSHR (0.36) ACHEALDH1A1LMNACYP2D6TSHR
SCHEMBL3733591 0.85 CYP4F2 (0.47) ACHECYP4F2CYP4A11TSHR
SCHEMBL3738253 0.85 CYP4F2 (0.47) ACHECYP4F2CYP4A11TSHR
1,4-Butanediol SCHEMBL3728797 0.85 CYP4F2 (0.37) ACHECYP4F2CYP4A11ALDH1A1CYP2D6
SCHEMBL3713421 0.85 CAMK2A (0.36) CYP4F2CYP4A11ALDH1A1CYP2D6TSHR
SCHEMBL1993032 0.83 ALDH1A1 (0.39) ALDH1A1LMNACYP2D6TSHRCYP2C19

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