SCHEMBL4404181

SCHEMBL4404181

Cn1n[c]c(Cl)c1C(F)(F)F

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
SCHEMBL17800723 0.80
SCHEMBL16911258 0.76
SCHEMBL1853879 0.76
SCHEMBL4408802 0.74
SCHEMBL16911648 0.74
SCHEMBL18813626 0.71
SCHEMBL17600314 0.71 TUBB4A (0.30)
SCHEMBL16911292 0.71
SCHEMBL16910754 0.71
SCHEMBL16962754 0.69 CYP11B2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879239-B1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AG (DE) 2003-04-23 EP claimed
US-6175007-B1 HERBICIDES AND DEFOLIANTS BASF AKTIENGESELLSCHAFT (DE) 2001-01-16 US claimed
JP-2000504708-A 2000-04-18 JP claimed
EP-0879239-A1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-11-25 EP claimed
EP-3339286-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-27 EP disclosed
EP-2427426-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-07 EP disclosed
EP-3071578-B1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-10 EP disclosed
US-9828389-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-28 US disclosed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 US disclosed
EP-2900654-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-17 EP disclosed
EP-2900655-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-10 EP disclosed
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 US disclosed
US-7232926-B2 Method for the production of sulphamic acid halogenides BASF AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
WO-2006092268-A1 BICYCLIC FIVE-MEMBERED HETEROARYL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-08 WO disclosed
US-20050159622-A1 Method for the production of sulphamic acid halogenides BASF AKTIENGESELLSCHAFT (DE) 2005-07-21 US disclosed
EP-0879239-B1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AG (DE) 2003-04-23 EP disclosed
US-6175007-B1 HERBICIDES AND DEFOLIANTS BASF AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed
EP-0879239-A1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-11-25 EP disclosed
WO-1997030060-A1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-08-21 WO disclosed
US-4964895-A Substituted 4-(4-nitrophenoxy) pyrazoles and their use as herbicides MONSANTO COMPANY (US) 1990-10-23 US disclosed