1,4-Butanediol

1,4-Butanediol

SCHEMBL3742680

CCCCOCC(=O)O.OCCCCO

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CES2 O00748 2/20 0.48
EPHX2 P34913 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLA2G4B P0C869 2/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
PAM P19021 2/20 0.41
ACHE P22303 5/20 0.41

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
SCHEMBL3731876 0.96 TSHR (0.54) TSHRCES2EPHX2SMN1; SMN2MEN1
Ethylene Glycol SCHEMBL3734775 0.94 TSHR (0.54) TSHRCES2EPHX2MEN1KMT2A
Alcohol SCHEMBL7530020 0.91 CES2 (0.52) TSHRCES2EPHX2MEN1KMT2A
SCHEMBL24207 0.91
Di(Hydroxyethyl)Ether SCHEMBL3733221 0.90 TSHR (0.68) TSHRCES2EPHX2MEN1KMT2A
1,4-Butanediol SCHEMBL3736935 0.89 EPHX2 (0.41) TSHRCES2EPHX2SMN1; SMN2LMNA
SCHEMBL21295324 0.89 CES2 (0.54) TSHRCES2EPHX2MEN1KMT2A
Calcium SCHEMBL30605676 0.89 CES2 (0.54) TSHRCES2EPHX2MEN1KMT2A
Hydrochloric Acid SCHEMBL1375034 0.89 CES2 (0.54) TSHRCES2EPHX2MEN1KMT2A
Tetraethylene Glycol SCHEMBL3729362 0.88 TSHR (0.65) TSHRCES2EPHX2SMN1; SMN2LMNA

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