SCHEMBL7602769

SCHEMBL7602769

CC1=Cc2ccccc2C1[Zr](C)(C)CC[Zr](C)(C)C1C(C)=Cc2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL27492992 0.82 CYP19A1 (0.35) RET
SCHEMBL6659310 0.82 CYP19A1 (0.32) RET
SCHEMBL1131353 0.81
Hydrochloric Acid SCHEMBL31592075 0.81 CYP19A1 (0.34)
SCHEMBL7602949 0.79
Hydrochloric Acid SCHEMBL7642828 0.78
Hydrochloric Acid SCHEMBL7634291 0.78
Hydrochloric Acid SCHEMBL7007871 0.78
Propane SCHEMBL8632264 0.77
SCHEMBL6533450 0.77

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
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed