SCHEMBL1739220

SCHEMBL1739220

CC(C)c1cccc2cc3c(cc12)CCC(=O)C31CC2=CCC1C2

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
SCHEMBL1738331 0.96
SCHEMBL9982301 0.91
SCHEMBL9981793 0.87
SCHEMBL9981871 0.87 ALDH1A1 (0.30)
SCHEMBL9981911 0.86
SCHEMBL9981730 0.85
SCHEMBL9982398 0.85
SCHEMBL9982083 0.85 KDM4E (0.31)
SCHEMBL9981672 0.84 ALDH1A1 (0.34)
SCHEMBL9982141 0.84

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-8211514-B2 Reverse dispersion retardation film and liquid crystal display device using the same JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-07-03 US disclosed
EP-2390690-A1 INVERSELY DISPERSIVE RETARDATION FILM, AND LIQUID CRYSTAL DISPLAY DEVICE COMPRISING SAME JX Nippon Oil & Energy Corporation (JP) 2011-11-30 EP disclosed