Sugi Predict

Sugi Predict / Compounds / SCHEMBL719787

SCHEMBL719787

SCHEMBL719787

Cc1cc(C)cc(-c2ccc(-c3cc(C)cc(C)c3)c3c2C=C(Cc2ccccc2)C3[Zr](C)(C)(=[SiH2])C2C(Cc3ccccc3)=Cc3c(-c4cc(C)cc(C)c4)ccc(-c4cc(C)cc(C)c4)c32)c1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 2/20 0.33

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 SCHEMBL690527 0.99 IDH1 (0.33) IDH1
SCHEMBL690336 0.89 — —
SCHEMBL719815 0.89 RAB9A (0.33) —
SCHEMBL690615 0.89 — —
Hydrochloric Acid SCHEMBL691238 0.88 RAB9A (0.33) —
Hydrochloric Acid SCHEMBL689788 0.88 — —
SCHEMBL690526 0.84 IDH1 (0.32) IDH1
SCHEMBL690377 0.84 — —
Hydrochloric Acid SCHEMBL689981 0.83 — —
SCHEMBL689018 0.82 P2RX7 (0.31) —

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