SCHEMBL4278889

SCHEMBL4278889

CCCN1C=CN(CCC)C1I

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
SCHEMBL2261087 0.87
SCHEMBL5299916 0.76
SCHEMBL8628096 0.72
SCHEMBL5327467 0.72
SCHEMBL4280036 0.72 PTGS1 (0.31)
SCHEMBL4276077 0.71 PTGS1 (0.34)
SCHEMBL4278807 0.71 PTGS1 (0.34)
SCHEMBL5288358 0.70
SCHEMBL5294424 0.70
SCHEMBL17139700 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024039193-A1 ELECTROLYTE COMPOSITION FOR REDOX FLOW BATTERY AND REDOX FLOW BATTERY COMPRISING SAME 서울과학기술대학교 산학협력단 2024-02-22 WO claimed
WO-2024039193-A1 ELECTROLYTE COMPOSITION FOR REDOX FLOW BATTERY AND REDOX FLOW BATTERY COMPRISING SAME 서울과학기술대학교 산학협력단 2024-02-22 WO disclosed
US-20090173381-A1 GEL TYPE ELECTROLYTE FOR DYE SENSITIZED SOLAR CELL, METHOD OF PREPARING THE SAME, AND SOLAR CELL INCLUDING THE GEL TYPE ELECTROLYTE SAMSUNG SDI CO., LTD. (KR) 2009-07-09 US disclosed