1,3-Butanediol

1,3-Butanediol

SCHEMBL4368561

CC(C)=COC=C(C)C.CC(O)CCO

nearest known ligand 0.39

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4364058 0.84 ALOX15 (0.56) ALDH1A1ALOX15
1,3-Butanediol SCHEMBL27357438 0.80 ALDH1A1 (0.44) ALDH1A1ALOX15TDP1
SCHEMBL4366769 0.80 ALDH1A1 (0.47) ALDH1A1ALOX15
1,3-Butanediol SCHEMBL4366672 0.78 TDP1 (0.31) TDP1
1,3-Butanediol SCHEMBL3427715 0.77 TDP1 (0.53) ALDH1A1ALOX15TDP1
1,3-Butanediol SCHEMBL227565 0.77
1,3-Butanediol SCHEMBL8176 0.77
1,3-Butanediol SCHEMBL222874 0.77
1,3-Butanediol SCHEMBL872873 0.75
1,3-Butanediol SCHEMBL270009 0.74 TDP1 (0.35) ALDH1A1ALOX15TDP1

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
US-20090035696-A1 PHOTORESIST COMPOSITION KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2009-02-05 US disclosed