SCHEMBL2831789

SCHEMBL2831789

NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(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
SCHEMBL30818499 0.95
SCHEMBL29166147 0.95
SCHEMBL29166118 0.91
SCHEMBL29475321 0.85
SCHEMBL30818522 0.85
SCHEMBL4362927 0.85
SCHEMBL31542011 0.83
SCHEMBL28635442 0.83
SCHEMBL29166683 0.83
SCHEMBL30818491 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4103946-B1 IN-VITRO DIAGNOSIS OF HISTAMINE INTOLERANCE SYNDROME IMMUNDIAGNOSTIK AG (DE) 2024-03-13 EP disclosed
CN-107209146-B Electrochemical gas sensor and electrolyte for electrochemical gas sensor 德尔格安全股份两合公司 2024-03-12 CN disclosed
US-20230109016-A1 IN-VITRO DIAGNOSIS OF HISTAMINE INTOLERANCE SYNDROME IMMUNDIAGNOSTIK AG (DE) 2023-04-06 US disclosed
EP-4103946-A1 IN-VITRO DIAGNOSIS OF HISTAMINE INTOLERANCE SYNDROME Immundiagnostik AG (DE) 2022-12-21 EP disclosed
WO-2021160696-A1 IN-VITRO DIAGNOSIS OF HISTAMINE INTOLERANCE SYNDROME IMMUNDIAGNOSTIK AG (DE) 2021-08-19 WO disclosed
WO-2015028942-A1 BIOCIDAL COMPOUND, ITS PRODUCTION PROCESS AND WOOD PRESERVATIVE COMPOSITION CONSEJO NACIONAL DE INVESTIGACIONES CIENTÍFICAS Y TÉCNICAS (CONICET) (AR) 2015-03-05 WO disclosed
WO-2010069312-A1 METHOD OF COATING A HEARING AID COMPONENT AND A HEARING AID WIDEX A/S (DK) 2010-06-24 WO disclosed