1,4-Butanediol

1,4-Butanediol

SCHEMBL28034679

CC(CO)CCO.OCCCCO

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
TRPA1 O75762 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL2499904 0.91
SCHEMBL794539 0.91
SCHEMBL111181 0.91
SCHEMBL29242836 0.89 TSHR (0.48) TSHRALDH1A1ALOX15LMNATHRB
SCHEMBL9085447 0.88
SCHEMBL18136332 0.88
SCHEMBL2161697 0.88
Methyl Alcohol SCHEMBL25212727 0.88
Ammonia Solution, Strong SCHEMBL28590964 0.88
SCHEMBL22749286 0.86 TSHR (0.50) TSHRALDH1A1SMN1; SMN2LMNAHSD17B10

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-105093875-A ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS CANON KK 2015-11-25 CN disclosed