SCHEMBL6465005

SCHEMBL6465005

CCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Zr](Cl)(Cl)(=C(C)C)C1C(CC)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 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
SCHEMBL6466715 0.91 BRD4 (0.31)
SCHEMBL144096 0.87 PDCD1 (0.32)
SCHEMBL6462712 0.86 BRD4 (0.31)
SCHEMBL6466760 0.86 BRD4 (0.31)
SCHEMBL137373 0.84 GRIN2C (0.34) NR1H4
SCHEMBL6463766 0.84
SCHEMBL273202 0.84 NR1H4 (0.30) NR1H4
SCHEMBL5974826 0.84
SCHEMBL5358431 0.84
Hydrochloric Acid SCHEMBL3308444 0.82 BRD4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900343-B1 Method for the purification of metallocenes BASELL POLYOLEFINE GMBH (DE) 2005-05-31 US disclosed