SCHEMBL22746533

SCHEMBL22746533

CC(C)(C#CO)COCCCCOC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.30

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
SCHEMBL22746599 0.83
SCHEMBL20201542 0.73 GBA2 (0.37) CES1
SCHEMBL24667814 0.71 GBA2 (0.39) CES1
SCHEMBL22746749 0.71 CYP4F2 (0.35) CES1
SCHEMBL20201547 0.70 GBA2 (0.35) CES1
SCHEMBL20201545 0.70 GBA2 (0.35) CES1
SCHEMBL19420786 0.70 GBA2 (0.38) CES1
SCHEMBL10932413 0.69 MAPK1 (0.36)
SCHEMBL20314553 0.69 GBA2 (0.33)
SCHEMBL8810984 0.69 CYP4F2 (0.39)

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-3418315-B1 POLYCARBONATE POLYOL UBE INDUSTRIES (JP) 2020-12-02 EP disclosed