SCHEMBL691100

SCHEMBL691100

CC1=C(C(C)(C)C)C([Zr](C)(C)(=[SiH2])C2C(C(C)(C)C)=C(C)c3c(-c4ccc(C(C)(C)C)cc4)ccc(-c4ccc(C(C)(C)C)cc4)c32)c2c(-c3ccc(C(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c21

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 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 SCHEMBL690722 0.99
SCHEMBL690700 0.90
Hydrochloric Acid SCHEMBL690064 0.89
Hydrochloric Acid SCHEMBL690924 0.86
SCHEMBL689405 0.84 CNR1 (0.31)
Hydrochloric Acid SCHEMBL690687 0.83 CNR1 (0.31)
Hydrochloric Acid SCHEMBL3056112 0.81 BRD4 (0.31)
SCHEMBL690010 0.74 TSHR (0.31) TSHRNPC1LMNATP53RAB9A
SCHEMBL695973 0.72 DHFR (0.32)
SCHEMBL690569 0.72

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