SCHEMBL13380252

SCHEMBL13380252

CC1CC(C)C(OC(=O)c2c(NC(=O)c3cccc(C(F)(F)F)c3)[nH]c(/C=C3\N=C(NC(=O)C(C)Sc4cc(C(=O)O)cc(C(=O)O)c4)C(C#N)=C3c3ccccc3)c2-c2ccccc2)C(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
SCHEMBL13380253 0.95
SCHEMBL13380249 0.76 ALDH1A1 (0.41)
SCHEMBL13380259 0.72 TAS1R3 (0.36)
SCHEMBL13380256 0.68 MEN1 (0.40)
SCHEMBL13380264 0.67 ALDH1A1 (0.48)
SCHEMBL13380260 0.64 GAA (0.45)
SCHEMBL9913949 0.62
SCHEMBL15448981 0.61 ALDH1A1 (0.32)
SCHEMBL6248559 0.51 KDR (0.71)
SCHEMBL28637086 0.51 CES2 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343696-B2 Colored curable composition, fluorine-containing dipyrromethene compound and tautomer thereof, and fluorine-containing dipyrromethene metal complex and tautomer thereof, and color filter using the same and method for producing the color filter FUJIFILM CORPORATION (JP) 2013-01-01 US disclosed
US-20100081071-A1 COLORED CURABLE COMPOSITION, FLUORINE-CONTAINING DIPYRROMETHENE COMPOUND AND TAUTOMER THEREOF, AND FLUORINE-CONTAINING DIPYRROMETHENE METAL COMPLEX AND TAUTOMER THEREOF, AND COLOR FILTER USING THE SAME AND METHOD FOR PRODUCING THE COLOR FILTER FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed