SCHEMBL7745249

SCHEMBL7745249

CCC(=O)N(c1c[c]c(F)cc1C#N)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL7740205 0.91
SCHEMBL7740029 0.85
SCHEMBL7740250 0.82
SCHEMBL7747627 0.82
SCHEMBL7744810 0.82
SCHEMBL7747648 0.80 ALDH1A1 (0.35)
SCHEMBL7747631 0.79
SCHEMBL7744842 0.79 NR3C2 (0.34)
SCHEMBL7744890 0.79
SCHEMBL5844349 0.77

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
WO-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed
EP-1070055-A1 SUBSTITUTED PHENYL PYRIDAZINONES Bayer Aktiengesellschaft (DE) 2001-01-24 EP disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 WO disclosed