SCHEMBL695192

SCHEMBL695192

CCC(CC1=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c2C1[Zr](C)(C)(=[SiH2])C1C(CC(CC)c2ccccc2)=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c21)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 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 SCHEMBL690124 0.99 AKR1C3 (0.30) AKR1C3AKR1C2
SCHEMBL694569 0.88 AKR1C3 (0.33) AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL690119 0.88 AKR1C3 (0.33) AKR1C3AKR1C2
SCHEMBL691085 0.84
SCHEMBL694455 0.84 HTR7 (0.31)
Hydrochloric Acid SCHEMBL689914 0.84
Hydrochloric Acid SCHEMBL689605 0.83 HTR7 (0.30)
SCHEMBL689818 0.82 TAAR1 (0.30)
SCHEMBL696087 0.82 CNR1 (0.33)
Hydrochloric Acid SCHEMBL689433 0.81 CNR1 (0.33)

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