SCHEMBL5163549

SCHEMBL5163549

C=C(C)C(=O)OC(C)(CN=C=O)N=C=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL1848842 0.83 THRB (0.37) ALDH1A1TSHR
SCHEMBL321666 0.81 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL5163889 0.77 TSHR (0.30) TSHR
SCHEMBL23633202 0.75 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL17006924 0.75 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL7130273 0.75 ALDH1A1 (0.38) ALDH1A1TSHR
Cyclohexane SCHEMBL8842743 0.71 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1527802 0.71 THRB (0.35) ALDH1A1TSHR
SCHEMBL29071600 0.70 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL152350 0.68 TSHR (0.40) ALDH1A1TSHR

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
EP-0894808-B1 Modified cellulose compound and photopolymerizable resin composition containing the same TOKYO OHKA KOGYO CO LTD (JP) 2007-03-07 EP disclosed
US-6054545-A CELLULOSE MODIFIED WITH CARBOXYLATED ISOCYANATE TOKYO OHKA KOGYO CO., LTD. (JP) 2000-04-25 US disclosed
EP-0894808-A1 Modified cellulose compound and photopolymerizable resin composition containing the same TOKYO OHKA KOGYO CO., LTD. (JP) 1999-02-03 EP disclosed