SCHEMBL28051287

SCHEMBL28051287

CCCOP(OCCC)OCCC.OP(O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL109401 0.90 ALDH1A1 (0.44) ALDH1A1TP53
Alcohol SCHEMBL29217392 0.88 ALDH1A1 (0.38) ALDH1A1TP53HSD17B10
SCHEMBL11795298 0.87 ALDH1A1 (0.42) ALDH1A1TP53
SCHEMBL8646213 0.87 ALDH1A1 (0.42) ALDH1A1TP53
SCHEMBL11677357 0.87 ALDH1A1 (0.42) ALDH1A1TP53
SCHEMBL30420061 0.87 ALDH1A1 (0.42) ALDH1A1TP53
SCHEMBL8650786 0.84 ALDH1A1 (0.47) ALDH1A1TP53
SCHEMBL21981714 0.82 TSHR (0.40) ALDH1A1TP53
SCHEMBL1725942 0.81 ALDH1A1 (0.38) ALDH1A1TP53
SCHEMBL2692088 0.81 ALDH1A1 (0.38) ALDH1A1TP53

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-105330824-A Flame retardant curing agent for epoxy resin and preparation method of flame retardant curing agent XI AN ORIGIN CHEMICAL TECHNOLOGIES CO LTD 2016-02-17 CN disclosed