SCHEMBL689974

SCHEMBL689974

CCC(C)C1=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c2C1[Zr](C)(C)(=[SiH2])C1C(C(C)CC)=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 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
SCHEMBL690364 0.89
Hydrochloric Acid SCHEMBL690884 0.88
SCHEMBL691259 0.85
Hydrochloric Acid SCHEMBL691055 0.85
SCHEMBL690436 0.85 AKR1C3 (0.30)
Hydrochloric Acid SCHEMBL689821 0.84
Hydrochloric Acid SCHEMBL690717 0.84 AKR1C3 (0.30)
SCHEMBL694261 0.80 AKR1C3 (0.31)
Hydrochloric Acid SCHEMBL1023474 0.79
SCHEMBL689859 0.79

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