SCHEMBL694607

SCHEMBL694607

C[Zr](C)(=[SiH2])(C1C(CC2CCCCCC2)=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c21)C1C(CC2CCCCCC2)=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.31
ATM Q13315 1/20 0.31
BCHE P06276 1/20 0.31
RORC P51449 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
SCHEMBL695158 1.00 ACP3 (0.31) ACP3ATMBCHERORC
Hydrochloric Acid SCHEMBL689444 0.99 ACP3 (0.31) ACP3ATMBCHE
Hydrochloric Acid SCHEMBL720320 0.99 ACP3 (0.31) ACP3ATMBCHE
SCHEMBL694258 0.99 HTR1A (0.30)
Hydrochloric Acid SCHEMBL690139 0.98
SCHEMBL694537 0.97 HTR1A (0.30)
Hydrochloric Acid SCHEMBL689812 0.96
SCHEMBL695425 0.95 HTR7 (0.31)
Hydrochloric Acid SCHEMBL690375 0.94 HTR7 (0.31)
Hydrochloric Acid SCHEMBL3066533 0.92 ACP3 (0.33) ACP3

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
EP-2203486-B9 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-08-01 EP claimed
EP-2203486-B1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-02-29 EP claimed