SCHEMBL2013003

SCHEMBL2013003

CC(C)=[Ti](Oc1cc(C)cc(C(C)(C)C)c1)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
Hydrochloric Acid SCHEMBL715175 0.99
SCHEMBL4083421 0.86 CA1 (0.32)
Hydrochloric Acid SCHEMBL721837 0.86 HTT (0.31)
Hydrochloric Acid SCHEMBL714526 0.85 CA1 (0.31)
Hydrochloric Acid SCHEMBL3681687 0.85
Hydrochloric Acid SCHEMBL714305 0.84
SCHEMBL7878093 0.83
SCHEMBL5553269 0.83 CYP3A4 (0.34)
Hydrochloric Acid SCHEMBL720171 0.82 POLB (0.32)
Hydrochloric Acid SCHEMBL715355 0.82 RXRA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1785429-B1 PROCESS FOR PRODUCING METALLOCENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-10-03 EP disclosed
WO-2011074688-A1 PRODUCTION PROCESS OF OLEFIN POLYMERIZATION CATALYST AND OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 WO disclosed
US-20080319213-A1 Process For Producing Metallocene Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
EP-1498178-B1 Transition metal complex and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-06-11 EP disclosed
EP-1785429-A1 PROCESS FOR PRODUCING METALLOCENE COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-05-16 EP disclosed
EP-0887355-B1 PROCESS FOR PREPARING OLEFIN POLYMERS SUMITOMO CHEMICAL CO (JP) 2006-09-06 EP disclosed
US-6388031-B1 MELT VISCOSITY; MOLDING MATERIALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-14 US disclosed
US-6329478-B1 SOLUBILITY IN SATURATED HYDROCARBON SOLVENTS SUMITMO CHEMICAL COMPANY, LIMITED 2001-12-11 US disclosed
US-6207753-B1 RESIN MATERIALS FOR PRODUCING MOLDED PRODUCTS ENDOWED WITH EXCELLENT HEAT RESISTANCE, SOLVENT RESISTANCE, TOUGHNESS, TENSILE ELONGATION AND TRANSPARENCY IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-03-27 US disclosed