SCHEMBL4387480

SCHEMBL4387480

C=CC(=O)OC(C)C(N)(O)C(C)OC(=O)C=C.COS(=O)(=O)O

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL9120513 0.87 TSHR (0.33) TSHR
SCHEMBL7797605 0.83 TSHR (0.34) TSHR
SCHEMBL28461421 0.80 TSHR (0.37) TSHR
SCHEMBL28402795 0.77 TSHR (0.34) TSHR
SCHEMBL21880084 0.75 TSHR (0.38) TSHR
SCHEMBL3381056 0.75 TSHR (0.34) TSHR
SCHEMBL10787047 0.75 TSHR (0.42) TSHR
SCHEMBL3202105 0.73 TSHR (0.35) TSHR
SCHEMBL127381 0.73 TSHR (0.35) TSHR
SCHEMBL9940075 0.73 TSHR (0.41) TSHR

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
US-20090130374-A1 STAIN AND SOIL REPELLENT COMPOSITION INVISTA NORTH AMERICA S.A.R.L. (US) 2009-05-21 US disclosed