SCHEMBL689018

SCHEMBL689018

Cc1cc(C)cc(-c2ccc(-c3cc(C)cc(C)c3)c3c2C=C(CC(C)c2ccccc2)C3[Zr](C)(C)(=[SiH2])C2C(CC(C)c3ccccc3)=Cc3c(-c4cc(C)cc(C)c4)ccc(-c4cc(C)cc(C)c4)c32)c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.31

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 SCHEMBL690611 0.99 P2RX7 (0.31) P2RX7
SCHEMBL690413 0.90 P2RX7 (0.32) P2RX7
SCHEMBL690581 0.90 TRPA1 (0.33) P2RX7
Hydrochloric Acid SCHEMBL690690 0.89 P2RX7 (0.31) P2RX7
Hydrochloric Acid SCHEMBL689210 0.89 TRPA1 (0.33) P2RX7
SCHEMBL691680 0.88 AKR1C3 (0.32)
Hydrochloric Acid SCHEMBL690573 0.87 AKR1C3 (0.31)
SCHEMBL689397 0.83 AKR1C3 (0.31)
Hydrochloric Acid SCHEMBL691070 0.82 AKR1C3 (0.31)
SCHEMBL719787 0.82 IDH1 (0.33)

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