1,4-Butanediol

1,4-Butanediol

SCHEMBL5325145

C=CC(=O)OC(=O)C(=C)C.OCCCCO

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 11/20 0.41
HPGD P15428 1/20 0.37
ALDH1A1 P00352 9/20 0.37
CYP3A4 P08684 2/20 0.36
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL27778816 0.88 ALDH1A1 (0.46) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL65009 0.88 ALDH1A1 (0.46) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL6847941 0.86 ALDH1A1 (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21616688 0.86 ALDH1A1 (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL7941575 0.86 ALDH1A1 (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL9775693 0.86 ALDH1A1 (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL20954079 0.86 ALDH1A1 (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL20954076 0.86 ALDH1A1 (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL7567178 0.86 ALDH1A1 (0.44) TSHRHPGDALDH1A1CYP3A4TP53
Ammonia Solution, Strong SCHEMBL28330241 0.86 ALDH1A1 (0.44) TSHRHPGDALDH1A1CYP3A4TP53

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
EP-1772754-A1 Radiation-sensitive resin composition for optical waveguides, optical waveguide, and method for manufacturing optical waveguide JSR Corporation (JP) 2007-04-11 EP disclosed