SCHEMBL5710048

SCHEMBL5710048

CC1=C(C)CC([Ti]2(C3=CC(C)=C(C)C3)CC2)=C1

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
SCHEMBL4652308 0.64
SCHEMBL1027102 0.64
SCHEMBL9142012 0.61
SCHEMBL9142020 0.61
Hydrochloric Acid SCHEMBL9559174 0.58
SCHEMBL9559172 0.58
Hydrochloric Acid SCHEMBL3963016 0.58
Hydrochloric Acid SCHEMBL9559175 0.58
SCHEMBL5079252 0.58
Hydrochloric Acid SCHEMBL4939915 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049682-A Halogenation OCCIDENTAL CHEMICAL CORPORATION (US) 1991-09-17 US claimed
EP-0417691-A2 Process for the preparation of halophthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-20 EP claimed
EP-1458791-B1 METHODS FOR THE PREPARATION OF POLY(ETHERIMIDES)S GEN ELECTRIC (US) 2006-11-29 EP disclosed
EP-0985673-B1 Modified aluminium oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer SUMITOMO CHEMICAL CO (JP) 2006-11-22 EP disclosed
EP-1458791-A1 METHODS FOR THE PREPARATION OF POLY(ETHERIMIDES)S GENERAL ELECTRIC COMPANY (US) 2004-09-22 EP disclosed
US-6590108-B1 Transimidation of bis(imide) in presence of phthalic anhydride having substituent selected from group consisting of nitro, bromo, fluoro and chloro, to yield dianhydride GENERAL ELECTRIC COMPANY 2003-07-08 US disclosed
WO-2003050165-A1 METHODS FOR THE PREPARATION OF POLY(ETHERIMIDES)S GENERAL ELECTRIC COMPANY (US) 2003-06-19 WO disclosed
US-6498224-B1 SOLUTION POLYMERIZATION OF A DIANHYDRIDE AND A DIAMINE WHICH ELIMINATES THE NITRATION STEP; HIGH HEAT ENGINEERING PLASTICS GENERAL ELECTRIC COMPANY 2002-12-24 US disclosed
US-5233054-A Dehydrogenating, brominating the halogen substituted hexa- or tetra-hydrophthalic anhydride in the presence of free radical catalysts OCCIDENTAL CHEMICAL CORPORATION (US) 1993-08-03 US disclosed
US-5206391-A Reacting BR2 with halohydrophthalic anhydride, reacting HBR with CL2 to regenerate bromine OCCIDENTAL CHEMICAL CORPORATION (US) 1993-04-27 US disclosed
US-5059697-A Preparation of halogenated phthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1991-10-22 US disclosed
US-5049682-A Halogenation OCCIDENTAL CHEMICAL CORPORATION (US) 1991-09-17 US disclosed
US-5003088-A Method for the preparation of halophthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-26 US disclosed
EP-0417691-A2 Process for the preparation of halophthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-20 EP disclosed