SCHEMBL3835780

SCHEMBL3835780

CC(C)(C)c1cc2c(cc1-c1ccccc1)Cc1c-2cc(C(C)(C)C)c(-c2ccccc2)c1[Zr](=Cc1ccc(Cl)cc1)(C1=CC=CC1)c1cccc2ccccc12

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL399238 0.99
Hydrochloric Acid SCHEMBL400714 0.93
Hydrochloric Acid SCHEMBL400925 0.88
SCHEMBL4499422 0.84
SCHEMBL4949914 0.84
Hydrochloric Acid SCHEMBL1083679 0.83
Hydrochloric Acid SCHEMBL6047494 0.83
Hydrochloric Acid SCHEMBL27153410 0.80
SCHEMBL18142160 0.79
Hydrochloric Acid SCHEMBL4507494 0.78

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
EP-2048194-A1 THERMOPLASTIC RESIN COMPOSITION FOR SOLAR CELL SEALING, SHEET FOR SOLAR CELL SEALING, AND SOLAR CELL Mitsui Chemicals, Inc. (JP) 2009-04-15 EP disclosed