SCHEMBL2802229

SCHEMBL2802229

CC(C)=[Zr](c1c(C(C)(C)C)ccc2c1Cc1cc(C(C)(C)C)ccc1-2)C1C=Cc2ccccc21

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
SCHEMBL2804103 0.85
SCHEMBL2805309 0.82
Hydrochloric Acid SCHEMBL3375978 0.75
SCHEMBL3375983 0.74
SCHEMBL29976431 0.74
SCHEMBL30389421 0.73
SCHEMBL29976634 0.72
SCHEMBL7063246 0.72 HSP90AA1 (0.30)
SCHEMBL7102183 0.71 NPC1 (0.32)
Hydrochloric Acid SCHEMBL3371890 0.71

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
US-8785574-B2 Bridged metallocene compound, olefin polymerization catalyst containing the same, and ethylene polymer obtained with the catalyst MITSUI CHEMICALS, INC. (JP) 2014-07-22 US disclosed
US-20140114031-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE SAME, AND ETHYLENE POLYMER OBTAINED WITH THE CATALYST PRIME POLYMER CO., LTD. (JP) 2014-04-24 US disclosed
EP-2218725-B1 BRIDGED METALLOCENE OLEFIN POLYMERIZATION CATALYST AND ETHYLENE POLYMER OBTAINED BY USING THE CATALYST MITSUI CHEMICALS INC (JP) 2013-10-23 EP disclosed
US-20100292421-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE SAME, AND ETHYLENE POLYMER OBTAINED WITH THE CATALYST MITSUI CHEMICALS, INC. 2010-11-18 US disclosed
EP-2218725-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND AND ETHYLENE POLYMER OBTAINED BY USING THE CATALYST Mitsui Chemicals, Inc. (JP) 2010-08-18 EP disclosed
EP-2050771-A1 FILM OR LAMINATE COMPRISING ETHYLENE RESIN OR ETHYLENE RESIN COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-04-22 EP disclosed