SCHEMBL688968

SCHEMBL688968

CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3c2C=C(Cc2ccccc2)C3[Zr](C)(C)(=[SiH2])C2C(Cc3ccccc3)=Cc3c(-c4ccc(C(C)(C)C)cc4)ccc(-c4ccc(C(C)(C)C)cc4)c32)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.31
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 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 SCHEMBL690641 0.99 EGFR (0.30) EGFR
SCHEMBL691021 0.90 NPC1 (0.33) EGFR
SCHEMBL690615 0.89
Hydrochloric Acid SCHEMBL689323 0.89 NPC1 (0.32)
Hydrochloric Acid SCHEMBL689788 0.88
SCHEMBL719815 0.87 RAB9A (0.33) SMN1; SMN2
Hydrochloric Acid SCHEMBL691238 0.86 RAB9A (0.33)
SCHEMBL690021 0.84
SCHEMBL690640 0.84 KMT2A (0.31) KMT2ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL689532 0.83

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