SCHEMBL55860

SCHEMBL55860

C=C(C)C(=O)OCNC(=O)OCOC(=O)NCNC(=O)OCOC(=O)NCOC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL12752191 0.91 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL8517689 0.81 THRB (0.48) TSHRALDH1A1THRB
SCHEMBL56531 0.81 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL15677230 0.81 THRB (0.39) TSHRALDH1A1THRB
SCHEMBL23746701 0.81 ALDH1A1 (0.50) TSHRALDH1A1THRB
SCHEMBL12752210 0.80 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL19885344 0.79 THRB (0.55) TSHRALDH1A1THRB
SCHEMBL22217175 0.78 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL11544171 0.78 THRB (0.44) TSHRALDH1A1THRB
SCHEMBL822676 0.77 TSHR (0.48) TSHRALDH1A1THRB

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-8129494-B2 Resin composition for printing plate ASAHI KASEI E-MATERIALS CORPORATION (JP) 2012-03-06 US disclosed
US-20100093119-A1 RESIN COMPOSITION FOR PRINTING PLATE ASAHI KASEI E-MATERIALS CORPORATION (JP) 2010-04-15 US disclosed