SCHEMBL3178564

SCHEMBL3178564

Oc1ccc(C(CC(c2ccc(O)c(C3CCCCC3)c2)c2ccc(O)c(C3CCCCC3)c2)c2ccc(O)c(C3CCCCC3)c2)cc1C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.53
BACE1 P56817 1/20 0.53
HSP90AA1 P07900 1/20 0.49
THRB P10828 3/20 0.42
ACMSD Q8TDX5 2/20 0.41
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRA P10827 2/20 0.35
PTGDR2 Q9Y5Y4 9/20 0.35
PTGDR Q13258 3/20 0.35
PTGER2 P43116 1/20 0.35
ADRB2 P07550 1/20 0.35
APP P05067 1/20 0.34

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
SCHEMBL3146459 0.90 NUDT1 (0.47) NUDT1BACE1HSP90AA1THRBACMSD
SCHEMBL10347780 0.89 NUDT1 (0.51) NUDT1BACE1HSP90AA1THRBACMSD
SCHEMBL10766332 0.88 NUDT1 (0.44) NUDT1BACE1HSP90AA1THRBACMSD
SCHEMBL4061776 0.87 NUDT1 (0.50) NUDT1BACE1HSP90AA1THRBACMSD
SCHEMBL9807722 0.86 NUDT1 (0.49) NUDT1BACE1HSP90AA1THRBACMSD
SCHEMBL28088196 0.85 NUDT1 (0.43) NUDT1BACE1HSP90AA1THRBACMSD
SCHEMBL30374815 0.84 NUDT1 (0.58) NUDT1BACE1HSP90AA1THRBACMSD
SCHEMBL14616452 0.84 NUDT1 (0.53) NUDT1BACE1HSP90AA1THRBACMSD
SCHEMBL27693053 0.83 NUDT1 (0.51) NUDT1BACE1HSP90AA1THRBACMSD
SCHEMBL27701919 0.82 NUDT1 (0.46) NUDT1BACE1HSP90AA1THRBADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031611-B1 THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LTD (JP) 2017-09-27 EP disclosed
EP-3031611-A1 THERMAL RECORDING MATERIAL Mitsubishi Paper Mills Limited (JP) 2016-06-15 EP disclosed
EP-2096149-B1 INK FOR SCRATCH COLORING AND SHEET WITH INVISIBLE INFORMATION PRINTED MITSUBISHI PAPER MILLS LTD (JP) 2014-10-22 EP disclosed
US-8283285-B2 Scratch color-developable ink and invisible information printed sheet MITSUBISHI PAPER MILLS LIMITED (JP) 2012-10-09 US disclosed
US-20100021702-A1 SCRATCH COLOR-DEVELOPABLE INK AND INVISIBLE INFORMATION PRINTED SHEET MITSUBISHI PAPER INK MFG. CO., LTD. (JP) 2010-01-28 US disclosed
EP-2096149-A1 INK FOR SCRATCH COLORING AND SHEET WITH INVISIBLE INFORMATION PRINTED Mitsubishi Paper Mills Limited (JP) 2009-09-02 EP disclosed
US-7071144-B2 Heat response; confining images; reducing residues on print head; colorless dyes and developer; mixture of diphenyl sulfone compound, amide and fluoran dye MITSUBISHI PAPER MILLS, LTD. (JP) 2006-07-04 US disclosed
US-20050030366-A1 Thermal recording material MITSUBISHI PAPER MILLS LTD. (JP) 2005-02-10 US disclosed