1,4-Butanediol

1,4-Butanediol

SCHEMBL3743070

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

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
ACHE P22303 6/20 0.36
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
HPGD P15428 1/20 0.34
PLA2G4B P0C869 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 SCHEMBL3732641 0.95 ATM (0.37) ATMHCAR2TSHRALDH1A1GPR84
SCHEMBL3728703 0.94 TSHR (0.43) ACHETSHRMEN1KMT2APLA2G4B
SCHEMBL3739748 0.94 TSHR (0.43) ACHETSHRMEN1KMT2APLA2G4B
SCHEMBL2979038 0.93 ATM (0.41) ATMHCAR2TSHRALDH1A1GPR84
1,4-Butanediol SCHEMBL3736478 0.91 ACHE (0.33) SMN1; SMN2HCAR2ACHETSHRLMNA
SCHEMBL27720867 0.91 ATM (0.39) ATMHCAR2TSHRALDH1A1GPR84
Di(Hydroxyethyl)Ether SCHEMBL3742226 0.90 TSHR (0.50) SMN1; SMN2ATMHCAR2ACHETSHR
Triethylene Glycol SCHEMBL3733987 0.89 TSHR (0.48) SMN1; SMN2ATMHCAR2ACHETSHR
Tetraethylene Glycol SCHEMBL3729115 0.89 TSHR (0.48) SMN1; SMN2ATMHCAR2ACHETSHR
Propylene Glycol SCHEMBL3731844 0.88 ATM (0.35) ATMHCAR2TSHRALDH1A1GPR84

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