SCHEMBL8575914

SCHEMBL8575914

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](C)(C)(=[SiH2])C1c2ccccc2-c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 0.30
DHFR P00374 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 SCHEMBL6435343 0.99 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL7150484 0.96 CA12 (0.33) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL271719 0.95 CA12 (0.32) CA12CA1CA2CA9ALDH1A1
Fluoride SCHEMBL7645016 0.95 CA12 (0.32) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL3123295 0.88 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4000317 0.88 ALDH1A1 (0.33) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL6435259 0.86
Hydrochloric Acid SCHEMBL273551 0.86
Hydrochloric Acid SCHEMBL3401092 0.86 DRD2 (0.30)
SCHEMBL4006349 0.85 PTGS1 (0.35) CA12CA1CA2CA9ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770664-A Catalyst component for producing polyolefin, catalyst for producing polyolefin comprising the catalyst component, and process for producing polyolefin in the presence of the catalyst JAPAN POLYOLEFINS CO., LTD. (JP) 1998-06-23 US disclosed
EP-0707016-B1 Catalyst component for producing polyolefin, catalyst for producing polyolefin comprising the catalyst component, and process for producing polyolefin in the presence of the catalyst JAPAN POLYOLEFINS CO LTD (JP) 1997-09-24 EP disclosed
EP-0707016-A1 Catalyst component for producing polyolefin, catalyst for producing polyolefin comprising the catalyst component, and process for producing polyolefin in the presence of the catalyst JAPAN POLYOLEFINS CO., LTD. (JP) 1996-04-17 EP disclosed