1,4-Butanediol

1,4-Butanediol

SCHEMBL28190490

OCCCCO.[CH2]CCC

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
TSHR P16473 5/20 0.59
LMNA P02545 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HSD17B10 Q99714 1/20 0.59
KDM4E B2RXH2 1/20 0.35
ACHE P22303 6/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31

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
1,3-Propanediol SCHEMBL28115866 0.93
Butyl Alcohol SCHEMBL7417514 0.90
Propanol SCHEMBL5398171 0.85
Ethylene Glycol SCHEMBL9004896 0.85
SCHEMBL28201031 0.82 ALDH1A1 (0.45) SMN1; SMN2TSHRLMNAALDH1A1MEN1
1,4-Butanediol SCHEMBL28107895 0.81 SMN1; SMN2 (0.77) SMN1; SMN2TSHRLMNAALDH1A1MEN1
1,4-Butanediol SCHEMBL15569072 0.81 SMN1; SMN2 (0.77) SMN1; SMN2TSHRLMNAALDH1A1MEN1
Alcohol SCHEMBL3386019 0.81
Butyl Alcohol SCHEMBL28310758 0.79
Pentane SCHEMBL27287550 0.79

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107400205-A A kind of elastic resin and preparation method thereof 东莞市左镕工实业有限公司 2017-11-28 CN disclosed