SCHEMBL5345536

SCHEMBL5345536

COc1[c]c(F)c(F)cc1F

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
SCHEMBL28410485 0.87 TAAR1 (0.32)
SCHEMBL17110519 0.76
SCHEMBL17164134 0.74
SCHEMBL17110657 0.73 KDM4E (0.33)
SCHEMBL78459 0.73
SCHEMBL5352148 0.71 HTR2A (0.36)
SCHEMBL17164113 0.71 PTGS1 (0.31)
SCHEMBL17164207 0.71 PTGS1 (0.33)
SCHEMBL17164197 0.70 PDE4D (0.33)
SCHEMBL28779375 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129358-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-15 EP claimed
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides BASF SE (DE) 2017-02-02 US claimed
CN-106164058-A Diaminourea pyrrolotriazine derivatives as herbicide 巴斯夫欧洲公司 2016-11-23 CN claimed
WO-2015155271-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-15 WO claimed
US-7217676-B2 Hydrophobization and silica for supported catalyst EXXON MOBIL CHEMICAL PATENTS INC. (US) 2007-05-15 US claimed
US-20060264320-A1 Hydrophobization and silica for supported catalyst RODRIGUEZ GEORGE 2006-11-23 US claimed
EP-1704171-A2 HYDROPHOBIZATION AND SILICA FOR SUPPORTED CATALYST ExxonMobil Chemical Patents Inc. (US) 2006-09-27 EP claimed
WO-2005075526-A2 HYDROPHOBIZATION AND SILICA FOR SUPPORTED CATALYST EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-08-18 WO claimed
US-20050159299-A1 Hydrophobization and silica for supported catalyst EXXONMOBIL CHEMICAL PATENTS INC. 2005-07-21 US claimed
US-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-04-13 US disclosed
EP-3129358-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-15 EP disclosed
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides BASF SE (DE) 2017-02-02 US disclosed
EP-3122736-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-01 EP disclosed
CN-106164058-A Diaminourea pyrrolotriazine derivatives as herbicide 巴斯夫欧洲公司 2016-11-23 CN disclosed
WO-2015144881-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-01 WO disclosed
US-7217676-B2 Hydrophobization and silica for supported catalyst EXXON MOBIL CHEMICAL PATENTS INC. (US) 2007-05-15 US disclosed
US-20060264320-A1 Hydrophobization and silica for supported catalyst RODRIGUEZ GEORGE 2006-11-23 US disclosed
EP-1704171-A2 HYDROPHOBIZATION AND SILICA FOR SUPPORTED CATALYST ExxonMobil Chemical Patents Inc. (US) 2006-09-27 EP disclosed
WO-2005075526-A2 HYDROPHOBIZATION AND SILICA FOR SUPPORTED CATALYST EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-08-18 WO disclosed
US-20050159299-A1 Hydrophobization and silica for supported catalyst EXXONMOBIL CHEMICAL PATENTS INC. 2005-07-21 US disclosed