SCHEMBL13445840

SCHEMBL13445840

C=C(C)C(=O)OCOC1C2(C)CCC(C2)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.35
TSHR P16473 3/20 0.34
SCN9A Q15858 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R2 Q8TE23 1/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
TAS1R1 Q7RTX1 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
SCHEMBL3692737 1.00 CYP3A4 (0.43) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL17424229 0.88 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL11965874 0.85 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL4941894 0.82 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
Fenchyl Alcohol SCHEMBL2828537 0.81 ALDH1A1 (0.38) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL13921930 0.79 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL14617328 0.79 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL14616382 0.79 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL14617347 0.79 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL18897883 0.77 CYP3A4 (0.43) CYP3A4CYP2D6CYP2C9CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023580-B2 Method of forming polymeric compound, resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2015-05-05 US disclosed
US-20130137049-A1 METHOD OF FORMING POLYMERIC COMPOUND, RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2013-05-30 US disclosed
US-7687222-B2 Polymerizable ester compounds, polymers, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080008962-A1 Polymerizable ester compounds, polymers, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2008-01-10 US disclosed