SCHEMBL19928619

SCHEMBL19928619

CC(C)(C)C(=O)OC1(C)CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
P2RX7 Q99572 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
SCHEMBL7863152 0.81 CYP2D6 (0.36) CYP2D6CYP2C19P2RX7
SCHEMBL1451564 0.81 ALOX15 (0.39) CYP2D6CYP2C19P2RX7
SCHEMBL19215198 0.79 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL5347779 0.79 CYP2D6 (0.34) CYP2D6CYP2C19P2RX7
SCHEMBL31695324 0.77 CYP2D6 (0.33) CYP2D6CYP2C19P2RX7
SCHEMBL31695291 0.77 CYP2D6 (0.40) CYP2D6CYP2C19P2RX7
SCHEMBL4399242 0.76 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL4399238 0.76 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL6744508 0.75 CYP2D6 (0.38) CYP2D6CYP2C19P2RX7
SCHEMBL5357706 0.75 CYP2D6 (0.38) CYP2D6CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10007178-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-06-26 US disclosed
US-9910358-B2 Patterning process and chemically amplified negative resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-06 US disclosed