SCHEMBL11214552

SCHEMBL11214552

C=CC(=O)N(C)C(CC)S(=O)(=O)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
SCHEMBL28853942 0.98 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL14937663 0.75
SCHEMBL28189935 0.75 TSHR (0.31) TSHR
SCHEMBL8434287 0.73
SCHEMBL28099880 0.72 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL4732343 0.72 TSHR (0.41) ALDH1A1TSHR
SCHEMBL17687657 0.72
SCHEMBL28767336 0.71
SCHEMBL26103106 0.71 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL527878 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57057705-A None JP disclosed
JP-S5757705-A AQUEOUS DISPERSION OF HIGH-CRYSTALLINITY VINYLIDENE CHLORIDE POLYMER BADISCHE YUKA CO LTD 1982-04-07 JP disclosed
JP-S05757705-A 0001-01-01 JP disclosed