SCHEMBL3412780

SCHEMBL3412780

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C[Ni]C1=C(C)C(C)=C(C)C1(C)C

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
SCHEMBL29208271 0.66 ALDH1A1 (0.32)
SCHEMBL4276396 0.65
SCHEMBL14675991 0.63 ALDH1A1 (0.33)
SCHEMBL3175920 0.63 ALDH1A1 (0.33)
SCHEMBL26953 0.63 ALDH1A1 (0.33)
SCHEMBL9633702 0.63 ALDH1A1 (0.33)
SCHEMBL5511391 0.63 ALDH1A1 (0.33)
SCHEMBL301767 0.63 ALDH1A1 (0.33)
SCHEMBL22157999 0.63 ALDH1A1 (0.33)
SCHEMBL9634079 0.63 ALDH1A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2599801-A1 CATALYST COMPOSITION, METHOD FOR PRODUCING NORBORNENE COPOLYMER USING CATALYST COMPOSITION, NORBORNENE COPOLYMER, AND HEAT RESISTANT FILM USING COPOLYMER Showa Denko K.K. (JP) 2013-06-05 EP disclosed
US-20130116113-A1 CATALYST COMPOSITION, PRODUCTION PROCESS FOR NORBORNENE BASE COPOLYMER BY USING CATALYST COMPOSITION, NORBORNENE BASE COPOLYMER AND HEAT RESISTANT FILM PREPARED BY USING THE SAME SHOWA DENKO K.K. (JP) 2013-05-09 US disclosed
EP-2213691-A1 Cycloolefin addition polymer and making method Shin-Etsu Chemical Co., Ltd. (JP) 2010-08-04 EP disclosed
US-20100190950-A1 CYCLOOLEFIN ADDITION POLYMER AND MAKING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-07-29 US disclosed