SCHEMBL19985144

SCHEMBL19985144

CC1(C(C)(O)C(F)(F)F)CC2C=CC1C2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL13939203 0.84 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL200647 0.80 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL12939551 0.79 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL2761635 0.74 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL3175533 0.68 CYP2D6 (0.30) CYP2D6CYP2C19
SCHEMBL13525854 0.68 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL14511665 0.67 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL2681014 0.66 P2RX7 (0.33)
SCHEMBL13525824 0.66 CYP2D6 (0.34) CYP2D6CYP2C19
SCHEMBL5892405 0.66

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-20180081267-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-22 US disclosed