SCHEMBL1104117

SCHEMBL1104117

C=C(C)C(=O)OCCNC(=O)OCCCCOC(=O)C(C)(C)CC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ACHE P22303 14/20 0.44
THRB P10828 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL16376496 0.97 TSHR (0.44) TSHRACHETHRB
SCHEMBL9883776 0.95 THRB (0.44) TSHRACHETHRB
SCHEMBL838242 0.95 THRB (0.44) TSHRACHETHRB
SCHEMBL13402807 0.91 THRB (0.48) TSHRACHETHRB
SCHEMBL25766977 0.90 THRB (0.49) TSHRACHETHRB
SCHEMBL16141159 0.88 THRB (0.40) TSHRACHETHRB
SCHEMBL12793067 0.87 TSHR (0.61) TSHRTHRB
SCHEMBL1104111 0.86 THRB (0.42) TSHRTHRB
SCHEMBL749957 0.86 TSHR (0.64) TSHRACHETHRB
SCHEMBL14368843 0.86 TSHR (0.58) TSHRACHETHRB

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-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed