Sugi Predict

Sugi Predict / Compounds / SCHEMBL691075

SCHEMBL691075

SCHEMBL691075

CCCCCC1=Cc2c(-c3cc(C)cc(C)c3)ccc(-c3cc(C)cc(C)c3)c2C1[Zr](C)(C)(=[SiH2])C1C(CCCCC)=Cc2c(-c3cc(C)cc(C)c3)ccc(-c3cc(C)cc(C)c3)c21

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 12/20 0.35
▸ CNR1 P21554 11/20 0.35

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 SCHEMBL691432 0.99 CNR1 (0.34) CNR2CNR1
SCHEMBL691129 0.99 CNR2 (0.37) CNR2CNR1
Hydrochloric Acid SCHEMBL689948 0.98 CNR2 (0.36) CNR2CNR1
Hydrochloric Acid SCHEMBL689333 0.98 CNR2 (0.36) CNR2CNR1
SCHEMBL691219 0.96 CNR1 (0.33) CNR2CNR1
Hydrochloric Acid SCHEMBL689897 0.95 CNR1 (0.33) CNR2CNR1
SCHEMBL690105 0.91 CNR1 (0.30) CNR2CNR1
Hydrochloric Acid SCHEMBL689122 0.90 — —
SCHEMBL690189 0.89 GCGR (0.32) —
Hydrochloric Acid SCHEMBL690655 0.88 GCGR (0.32) —

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