SCHEMBL6250170

SCHEMBL6250170

CC1=C([Ti](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)C(C)C2=C1CCCC2

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
SCHEMBL8421331 0.83
SCHEMBL8422958 0.82
SCHEMBL6253739 0.81
SCHEMBL8419178 0.80 NOS3 (0.30)
SCHEMBL8422700 0.77
SCHEMBL8422857 0.76
SCHEMBL8419237 0.75 TP53 (0.31)
SCHEMBL8420888 0.74
SCHEMBL8422838 0.72 NOS3 (0.30)
SCHEMBL8422821 0.71 TP53 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433231-B Method for producing styrene resin and styrene resin molded body 出光兴产株式会社 2024-07-16 CN disclosed
CN-111433231-A Method for producing styrene resin and styrene resin molded body 出光兴产株式会社 2020-07-17 CN disclosed
CN-111417658-A Styrene resin, styrene resin composition, molded article thereof, and method for producing styrene resin 出光兴产株式会社 2020-07-14 CN disclosed
EP-0671416-B1 Transition metal compound, polymerization catalyst comprising the same and process for producing styrenic polymer using said polymerization catalyst IDEMITSU KOSAN CO (JP) 2005-08-31 EP disclosed
US-RE37064-E1 Process for producing styrenic polymer IDEMITSU KOSAN CO., LTD. (JP) 2001-02-20 US disclosed
US-RE36563-E Transition metal compound, polymerization catalyst using same and process for producing styrenic polymer using said polymerization catalyst IDEMITSU KOSAN CO., LTD. (JP) 2000-02-08 US disclosed
EP-0675139-B1 Process for producing styrenic polymer IDEMITSU KOSAN CO (JP) 1998-10-14 EP disclosed
US-5756612-A COORDINATION CATALYST FOR STYRENE POLYMERIZATION WITH COMPOUNDS OF ALUMINUM, MAGNESIUM AND ZINC IDEMITSU KOSAN CO., LTD. (JP) 1998-05-26 US disclosed
US-5596054-A COORDINATION CATALYSTS FOR ADDITION POLYMERIZATION IDEMITSU KOSAN CO., LTD. (JP) 1997-01-21 US disclosed
US-5596055-A Process for producing styrenic polymer IDEMITSU KOSAN CO., LTD. (JP) 1997-01-21 US disclosed
EP-0675139-A1 Process for producing styrenic polymer IDEMITSU KOSAN CO., LTD. (JP) 1995-10-04 EP disclosed
EP-0671416-A1 Transition metal compound, polymerization catalyst comprising the same and process for producing styrenic polymer using said polymerization catalyst IDEMITSU KOSAN COMPANY LIMITED (JP) 1995-09-13 EP disclosed