SCHEMBL6554396

SCHEMBL6554396

CC1=CC(C)=C([Zr](C)(C)(=[SiH2])C2=C(C)C=C(C)C2)C1.CNc1ccccc1.CNc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44

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
SCHEMBL9064348 0.81
Hydrochloric Acid SCHEMBL451220 0.79
Hydrochloric Acid SCHEMBL442672 0.72
Hydrochloric Acid SCHEMBL443894 0.70
SCHEMBL6554391 0.68 TSHR (0.42) TSHR
Benzene SCHEMBL17977991 0.66 TSHR (1.00) TSHR
SCHEMBL3008675 0.66
SCHEMBL4454 0.66
SCHEMBL19298582 0.66 TSHR (1.00) TSHR
Hydrochloric Acid SCHEMBL3729607 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0834515-B1 New Organotransition Metal Compounds KANTO KAGAKU (JP) 2004-02-25 EP disclosed
US-5859276-A Organotransition metal compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 1999-01-12 US disclosed
EP-0834515-A2 Transition-metal containing organic compounds and their use as catalysts for olefin polymerization KANTO KAGAKU KABUSHIKI KAISHA (JP) 1998-04-08 EP disclosed