SCHEMBL9923975

SCHEMBL9923975

CCC(C)(C)CC(C)(OC(=O)CCO)C(C)(C)CC

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
SCHEMBL16573518 0.88
SCHEMBL16329057 0.82 DNM1 (0.31)
SCHEMBL9924092 0.81 ALDH1A1 (0.34)
SCHEMBL16329429 0.79
SCHEMBL15296905 0.78 GAA (0.38)
SCHEMBL9924190 0.78 MMP8 (0.32)
SCHEMBL15743559 0.76 THRB (0.41)
SCHEMBL15743549 0.76 THRB (0.40)
SCHEMBL9924189 0.74
SCHEMBL12083658 0.71 ALDH1A1 (0.35)

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
US-20120146264-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND PROCESS FOR MAKING RELIEF PRINTING PLATE FUJIFILM CORPORATION (JP) 2012-06-14 US disclosed
US-20110091814-A1 PROCESS FOR MAKING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-04-21 US disclosed
US-20100068470-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING, RELIEF PRINTING PLATE AND METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2010-03-18 US disclosed