SCHEMBL29743598

SCHEMBL29743598

C=C(CC)C(=O)ON=C=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5183130 0.84 FFAR3 (0.33) ALDH1A1
SCHEMBL29047895 0.82 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL4352384 0.78
SCHEMBL372653 0.76
SCHEMBL2063067 0.74 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL27634130 0.73
SCHEMBL21315579 0.73
SCHEMBL27996920 0.72 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL1923846 0.71 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL4586977 0.71

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-20220307193-A1 FLUORINE-FREE FIBROUS TREATING COMPOSITIONS, TREATED SUBSTRATES, AND TREATING METHODS 3M INNOVATIVE PROPERTIES CO (US) 2022-09-29 US disclosed
US-11377785-B2 Fluorine-free fibrous treating compositions, treated substrates, and treating methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-07-05 US disclosed