SCHEMBL8027083

SCHEMBL8027083

CC1=C(C)C(C)(C)C(C2=C(c3ccccc3)C([Zr])c3ccccc32)=C1C

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
SCHEMBL1983241 0.84
Hydrochloric Acid SCHEMBL6929676 0.83
Hydrochloric Acid SCHEMBL6927798 0.83
SCHEMBL8026245 0.72
Hydrochloric Acid SCHEMBL7455446 0.70
SCHEMBL7458149 0.69
Hydrochloric Acid SCHEMBL6925227 0.69
Hydrochloric Acid SCHEMBL6929869 0.69
SCHEMBL7022963 0.68
SCHEMBL8166667 0.67 IDO1 (0.34)

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-1062257-A1 ETHYLENE COPOLYMERS WITH NARROW COMPOSITION DISTRIBUTION AND HIGH MELTING TEMPERATURES, AND METHODS OF PRODUCTION THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-12-27 EP disclosed
WO-2000040625-A1 ETHYLENE COPOLYMERS WITH NARROW COMPOSITION DISTRIBUTION AND HIGH MELTING TEMPERATURES, AND METHODS OF PRODUCTION THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-07-13 WO disclosed