SCHEMBL8464003

SCHEMBL8464003

CC(C)=CC(C)=C[Ti](C)(C)(C)(C)(C)C1=CC=CC1

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
SCHEMBL8464388 0.66
SCHEMBL8464385 0.66
SCHEMBL8093941 0.64
Hydrochloric Acid SCHEMBL27452100 0.62
Hydrochloric Acid SCHEMBL9077091 0.62
SCHEMBL27531759 0.62
SCHEMBL3239196 0.62
SCHEMBL3341645 0.62
SCHEMBL27476853 0.61
SCHEMBL8089186 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1255928-A Catalyst system for high yield synthesis of polyolefins DOW CHEMICAL CO (US) 2000-06-07 CN disclosed
US-5990033-A GROUP 4 METAL COMPLEXES IN THE +2 OR +3 FORMAL OXIDATION STATE AND CONTAINING AN ANIONIC PENTADIENYL LIGAND OR A SUBSTITUTED DERIVATIVE THEREOF AND ACTIVATING COCATALYSTS ARE USED AS ADDITION POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY (US) 1999-11-23 US disclosed
WO-1996016094-A1 PREPARATION OF SYNDIOTACTIC POLYOLEFINS FROM PROCHIRAL OLEFINS THE DOW CHEMICAL COMPANY (US) 1996-05-30 WO disclosed