SCHEMBL3739293

SCHEMBL3739293

CCCCC1=Cc2ccccc2C1[Zr](Cl)(Cl)(C1C(CCCC)=Cc2ccccc21)=[Si](C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 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
SCHEMBL3732682 0.94 CYP2D6 (0.36) HTR5ATDP1CYP3A4CYP2D6CYP2C9
SCHEMBL3739317 0.91 HTR5A (0.30) HTR5A
SCHEMBL796323 0.85 HTR2A (0.30)
SCHEMBL3742506 0.85 HTR5A (0.31) HTR5A
SCHEMBL3735377 0.80 CYP2D6 (0.34) TDP1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL8357831 0.80 CYP3A4 (0.33) HTR5ACYP3A4CYP2D6CYP2C9TSHR
SCHEMBL7636947 0.79
Hydrochloric Acid SCHEMBL3739296 0.78 CYP3A4 (0.31) HTR5ACYP3A4CYP2D6CYP2C9TSHR
SCHEMBL3731978 0.78
SCHEMBL1240235 0.78 BCHE (0.31)

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-20100280197-A1 MODIFIED PARTICLE, SUPPORT, CATALYST COMPONENT FOR ADDITION POLYMERIZATION, CATALYST FOR ADDITION POLYMERIZATION, AND PROCESS FOR PRODUCING ADDITION POLYMER TAKAOKI KAZUO 2010-11-04 US disclosed
US-20030069127-A1 Modified particle,support, catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMTED (JP) 2003-04-10 US disclosed
EP-1275662-A1 MODIFIED PARTICLE, SUPPORT, CATALYST COMPONENT FOR ADDITION POLYMERIZATION, CATALYST FOR ADDITION POLYMERIZATION, AND PROCESS FOR PRODUCING ADDITION POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-01-15 EP disclosed
EP-1153938-A1 CATALYST FOR STEREOREGULAR POLYMERIZATION OF ALPHA-OLEFIN AND PROCESS FOR PRODUCING STEREOREGULAR ALPHA-OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-14 EP disclosed