SCHEMBL4087717

SCHEMBL4087717

C=[Ti](Oc1cccc(C(C)(C)C)c1)C1=C([Si](C)(C)C)C=CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM2 Q14416 1/20 0.35
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 2/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
SOD1 P00441 1/20 0.32
KIF11 P52732 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
Hydrochloric Acid SCHEMBL716949 0.99 CYP3A4 (0.34) CYP3A4CYP2C9CYP2C19GRM2LMNA
SCHEMBL3233380 0.85 GRM2 (0.36) CYP3A4CYP2C9CYP2C19GRM2LMNA
Hydrochloric Acid SCHEMBL716160 0.84 GRM2 (0.35) CYP3A4CYP2C9CYP2C19GRM2LMNA
SCHEMBL3229260 0.84
Hydrochloric Acid SCHEMBL714928 0.84 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19GRM2LMNA
SCHEMBL3225052 0.84
SCHEMBL3228930 0.83 CYP3A4 (0.34) CYP3A4CYP2C9CYP2C19GRM2LMNA
Hydrochloric Acid SCHEMBL714198 0.82
SCHEMBL4083918 0.82
Hydrochloric Acid SCHEMBL715150 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090171054-A1 HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-02 US disclosed
US-20080234450-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-25 US disclosed
US-20080221287-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
US-20080214754-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed
US-20080214756-A1 CYCLIC OLEFIN-DIENE COPOLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed