SCHEMBL691680

SCHEMBL691680

CCC(CC1=Cc2c(-c3cc(C)cc(C)c3)ccc(-c3cc(C)cc(C)c3)c2C1[Zr](C)(C)(=[SiH2])C1C(CC(CC)c2ccccc2)=Cc2c(-c3cc(C)cc(C)c3)ccc(-c3cc(C)cc(C)c3)c21)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32

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 SCHEMBL690573 0.99 AKR1C3 (0.31) AKR1C3AKR1C2
SCHEMBL690820 0.90
SCHEMBL689818 0.90 TAAR1 (0.30)
Hydrochloric Acid SCHEMBL688843 0.89
Hydrochloric Acid SCHEMBL690796 0.89 TAAR1 (0.30)
SCHEMBL689018 0.88 P2RX7 (0.31)
Hydrochloric Acid SCHEMBL690611 0.87 P2RX7 (0.31)
SCHEMBL691676 0.83 REN (0.33)
Hydrochloric Acid SCHEMBL690260 0.82 REN (0.32)
SCHEMBL690377 0.81

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