1,4-Butanediol

1,4-Butanediol

SCHEMBL15569072

CCCO.OCCCCO

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.77
TSHR P16473 6/20 0.71
ALDH1A1 P00352 3/20 0.71
LMNA P02545 3/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
HSD17B10 Q99714 1/20 0.71
KDM4E B2RXH2 1/20 0.39
THRB P10828 2/20 0.36
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HTT P42858 1/20 0.35
DNM1 Q05193 1/20 0.35

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
1,6-Hexanediol SCHEMBL27770980 0.96 TSHR (0.79) SMN1; SMN2TSHRALDH1A1LMNAMEN1
1-Pentanol SCHEMBL6122642 0.92 SMN1; SMN2 (0.92) SMN1; SMN2TSHRALDH1A1LMNAMEN1
1-Pentanol SCHEMBL2954573 0.92 SMN1; SMN2 (0.92) SMN1; SMN2TSHRALDH1A1LMNAMEN1
1,4-Butanediol SCHEMBL28107895 0.91 SMN1; SMN2 (0.77) SMN1; SMN2TSHRALDH1A1LMNAMEN1
1,3-Propanediol SCHEMBL14325912 0.91
Cetyl Alcohol SCHEMBL6869168 0.89 LMNA (0.93) SMN1; SMN2TSHRALDH1A1LMNAMEN1
Octanol SCHEMBL11019558 0.89 LMNA (0.93) SMN1; SMN2TSHRALDH1A1LMNAMEN1
Octanol SCHEMBL5384517 0.89 LMNA (0.93) SMN1; SMN2TSHRALDH1A1LMNAMEN1
1-Heptanol SCHEMBL20856916 0.89 LMNA (0.93) SMN1; SMN2TSHRALDH1A1LMNAMEN1
1-Hexanol SCHEMBL8388758 0.89 LMNA (0.93) SMN1; SMN2TSHRALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108610504-A A kind of preparation method with hierarchical porous structure integral material 中国科学院大连化学物理研究所 2018-10-02 CN claimed
WO-2014025889-A1 HYDROPHILIC ACTIVATED SORBENT EXTRACTION DISK ENVIRONMENTAL EXPRESS, INC. (US) 2014-02-13 WO claimed
WO-2014025889-A1 HYDROPHILIC ACTIVATED SORBENT EXTRACTION DISK ENVIRONMENTAL EXPRESS, INC. (US) 2014-02-13 WO disclosed
CN-1833772-A Method of preparing octadecyl type integral liquid chromatography micro-column UNIV XIAMEN (CN) 2006-09-20 CN disclosed