SCHEMBL3816627

SCHEMBL3816627

NC1=CCC(I)(I)C=C1

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
SCHEMBL2472610 0.72
SCHEMBL28904639 0.70
SCHEMBL28609118 0.70
SCHEMBL29096350 0.68
SCHEMBL31474351 0.67
SCHEMBL13679854 0.67
Bromide SCHEMBL30537821 0.67 NOS3 (0.31)
SCHEMBL28423175 0.65
SCHEMBL18856410 0.64
SCHEMBL3463199 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017064207-A1 PORPHYRIN-BASED SENSITIZER FOR DYE-SENSITIZED SOLAR CELL G2E GLASS2ENERGY SA (CH) 2017-04-20 WO disclosed
EP-3157025-A1 PORPHYRIN-BASED SENSITIZER FOR DYE-SENSITIZED SOLAR CELL g2e glass2energy SA (CH) 2017-04-19 EP disclosed
EP-2086937-A1 NOVEL TRIPHENYLAMINE DERIVATIVES FOR USE AS FLUOROPHORES IN BIOLOGY, IN PARTICULAR FOR TWO-PHOTON MICROSCOPY Commissariat à l'Energie Atomique (FR) 2009-08-12 EP disclosed
WO-2008055969-A1 NOVEL TRIPHENYLAMINE DERIVATIVES FOR USE AS FLUOROPHORES IN BIOLOGY, IN PARTICULAR FOR TWO-PHOTON MICROSCOPY COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-05-15 WO disclosed