SCHEMBL5609628

SCHEMBL5609628

CC1=Cc2c(ccc(-c3ccccc3)c2-c2ccccc2-c2ccccc2)C1[Zr](Cl)Cl

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL5721888 0.92 NPC1 (0.33)
SCHEMBL6911025 0.92
SCHEMBL5721307 0.87 PDCD1 (0.35) PDCD1CD274
SCHEMBL5721286 0.87 CA12 (0.32)
SCHEMBL5721146 0.86
SCHEMBL5721550 0.86
SCHEMBL3163967 0.85 BRD4 (0.33) PDCD1CD274
SCHEMBL5721771 0.85
SCHEMBL5610051 0.84 PDCD1 (0.31) PDCD1CD274
SCHEMBL5609261 0.83

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-1640377-B1 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEM PATENTS INC (US) 2007-07-25 EP disclosed
EP-1640377-A1 Metallocenes and catalyst compositions derived therefrom Exxonmobil Chemical Patents Inc. (US) 2006-03-29 EP disclosed