Cyanate

Cyanate

SCHEMBL28065685

Fc1ccc(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.N#CO.N#CO

nearest known ligand 0.34

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AR P10275 1/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
Water SCHEMBL5503134 0.89 CES2 (0.36) CES2CES1CTSLCTSSCTSK
Boric Acid SCHEMBL5715747 0.87 CES2 (0.37) CES2CES1CTSLCTSSCTSK
SCHEMBL29967714 0.87 CES2 (0.37) CES2CES1CTSLCTSSCTSK
SCHEMBL1868825 0.87 CES2 (0.37) CES2CES1CTSLCTSSCTSK
SCHEMBL6691093 0.84 CES2 (0.36) CES2CES1CTSLCTSSCTSK
SCHEMBL7924229 0.84 CES2 (0.36) CES2CES1CTSLCTSSCTSK
SCHEMBL5716515 0.79 CES2 (0.39) CES2CES1CTSLCTSSCTSK
SCHEMBL31711774 0.78 CES2 (0.34) CES2CES1CTSLCTSSCTSK
Phenol SCHEMBL28910824 0.76 CA12 (0.42) CES2CES1CTSLCTSSCTSK
SCHEMBL25273751 0.72 CTSL (0.45) CES2CES1CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683154-A Cyanate ester compound, curable resin composition containing the same, and cured product thereof 三菱瓦斯化学株式会社 2016-06-15 CN disclosed