SCHEMBL6859255

SCHEMBL6859255

[CH2]CC(C)(C[CH2])CC

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
SCHEMBL497711 0.92
SCHEMBL1974648 0.81
SCHEMBL5985933 0.78 TSHR (0.30)
SCHEMBL17607528 0.78 TSHR (0.30)
SCHEMBL1970083 0.76 LMNA (0.30)
SCHEMBL1971548 0.74 TSHR (0.33)
SCHEMBL15972084 0.74
SCHEMBL134136 0.74
SCHEMBL8594705 0.73
SCHEMBL5984965 0.73

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948489-A1 A POLYESTER POLYURETHANE MATERIAL WITH LONG TERM HYDROLYSIS RESISTANCE Covestro Deutschland AG (DE) 2015-12-02 EP claimed
US-20150322196-A1 A POLYESTER POLYURETHANE MATERIAL WITH LONG TERM HYDROLYSIS RESISTANCE BAYER MATERIALSCIENCE AG (DE) 2015-11-12 US claimed
WO-2014114614-A1 A POLYESTER POLYURETHANE MATERIAL WITH LONG TERM HYDROLYSIS RESISTANCE BAYER MATERIALSCIENCE AG (DE) 2014-07-31 WO claimed
US-20240016706-A1 MATERIALS FOR OBTURATION SONENDO, INC. 2024-01-18 US disclosed
WO-2022099258-A1 MATERIALS FOR OBTURATION SONENDO, INC. (US) 2022-05-12 WO disclosed
CN-108289794-B Dental adhesive 可乐丽则武齿科株式会社 2021-10-01 CN disclosed
EP-3388046-B1 DENTAL ADHESIVE KURARAY NORITAKE DENTAL INC (JP) 2020-06-10 EP disclosed
US-10456333-B2 Dental adhesive KURARAY NORITAKE DENTAL INC. (JP) 2019-10-29 US disclosed
US-20180360696-A1 DENTAL ADHESIVE KURARAY NORITAKE DENTAL INC. (JP) 2018-12-20 US disclosed
EP-3388046-A1 DENTAL ADHESIVE Kuraray Noritake Dental Inc. (JP) 2018-10-17 EP disclosed
EP-2948489-A1 A POLYESTER POLYURETHANE MATERIAL WITH LONG TERM HYDROLYSIS RESISTANCE Covestro Deutschland AG (DE) 2015-12-02 EP disclosed
WO-2014114614-A1 A POLYESTER POLYURETHANE MATERIAL WITH LONG TERM HYDROLYSIS RESISTANCE BAYER MATERIALSCIENCE AG (DE) 2014-07-31 WO disclosed
US-6790971-B1 AMIDE OR CARBAMATE FUNCTION AT 11 BETA-POSITION; CLAIMED 3-ONE-DIENE INTERMEDIATE HAS HYDROXYMETHYLALKYL GROUP ON 11 POSITION; ANTIPROGESTOMIMETIC; HORMONE-DEPENDENT TUMORS; ANIMAL HUSBANDRY AVENTIS PHARMA S.A. (FR) 2004-09-14 US disclosed
EP-0471612-B1 New steroids having an amide substituted group in the 11-beta position, their preparation, their use as medicines and pharmaceutical composition thereof ROUSSEL UCLAF (FR) 1998-01-28 EP disclosed
US-5707982-A ANTITUMOR ROUSSEL UCLAF (FR) 1998-01-13 US disclosed
US-5290771-A 19-nor-steroids ROUSSEL UCLAF (FR) 1994-03-01 US disclosed
EP-0384842-B1 19-Nor steroids substituted at position 11-beta by a hydrocarbon chain containing an amide or carbamate group, their preparation, intermediates, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5149696-A Antiestrogens ROUSSEL UCLAF (FR) 1992-09-22 US disclosed
EP-0471612-A2 New steroids having an amide substituted group in the 11-beta position, their preparation, their use as medicines and pharmaceutical composition thereof ROUSSEL UCLAF (FR) 1992-02-19 EP disclosed
EP-0384842-A1 19-Nor steroids substituted at position 11-beta by a hydrocarbon chain containing an amide or carbamate group, their preparation, intermediates, their use as medicaments and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1990-08-29 EP disclosed