SCHEMBL6557903

SCHEMBL6557903

CCC1=C(CC)C([Ti]C2=CCC(CC)=C2CC)=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
SCHEMBL6277205 0.71
SCHEMBL6906692 0.71
Hydrochloric Acid SCHEMBL27829190 0.68
SCHEMBL16223626 0.68
SCHEMBL16223873 0.68
Hydrochloric Acid SCHEMBL2354136 0.67
Hydrochloric Acid SCHEMBL2354869 0.67
Ethane SCHEMBL28208817 0.59
SCHEMBL6053931 0.59
SCHEMBL6914434 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719797-B2 Process for obtaining polyolefins with broad bimodal or multimodal molecular weight distributions REPSOL QUIMICA SA (ES) 2004-03-03 EP disclosed
US-6605676-B1 Process for obtaining polyolefins with broad bimodal or multimodal molecular weight distributions REPSOL QUIMICA, S.A. (ES) 2003-08-12 US disclosed
EP-0719797-B1 Process for obtaining polyolefins with broad bimodal or multimodal molecular weight distributions REPSOL QUIMICA SA (ES) 2000-04-12 EP disclosed
EP-0961785-A1 IMPROVED CONTROL OF SOLUTION CATALYST DROPLET SIZE WITH A PERPENDICULAR SPRAY NOZZLE UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-12-08 EP disclosed
WO-1998037102-A1 IMPROVED CONTROL OF SOLUTION CATALYST DROPLET SIZE WITH A PERPENDICULAR SPRAY NOZZLE UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-08-27 WO disclosed
EP-0719797-A2 Process for obtaining polyolefins with broad bimodal or multimodal molecular weight distributions REPSOL QUIMICA S.A. (ES) 1996-07-03 EP disclosed