SCHEMBL8927315

SCHEMBL8927315

CC1=CC=C(C(=O)O)C([N+](=O)[O-])C1=S(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 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
SCHEMBL11745154 0.64
SCHEMBL25414445 0.64 CASP6 (0.30)
SCHEMBL28100308 0.64 CASP6 (0.30)
SCHEMBL7933068 0.58 POLB (0.32)
SCHEMBL4536565 0.56 TSHR (0.31) TSHR
SCHEMBL11507102 0.53
SCHEMBL12263601 0.50
Acetic Acid SCHEMBL7867546 0.47 FFAR3 (0.50) TSHR
Hydrogen Peroxide SCHEMBL28709584 0.47 MEN1 (0.60) TSHR
Zinc Ion SCHEMBL31633476 0.46 TDP1 (0.50) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102639517-B N- (1,2, 5-oxadiazol-3-yl) benzamides and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-11 CN disclosed
CN-102639517-A N- (1,2, 5-oxadiazol-3-yl) benzamides and their use as herbicides BAYER CROPSCIENCE AG 2012-08-15 CN disclosed
CN-1950319-B Process for preparing cyclic diketones SYNGENTA PARTICIPATIONS AG 2010-12-15 CN disclosed
CN-1950339-B Process for the production of cyclic diketones SYNGENTA PARTICIPATIONS AG 2010-12-01 CN disclosed
CN-1950339-A Process for the production of cyclic diketones SYNGENTA PARTICIPATIONS AG (CH) 2007-04-18 CN disclosed
CN-1950319-A Process for preparing cyclic diketones SYNGENTA PARTICIPATIONS AG (CH) 2007-04-18 CN disclosed
US-5591890-A Process for producing ortho-nitro aromatic acids by oxidation of ortho-nitroalkylaromatic compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-07 US disclosed
WO-1993011102-A1 PREPARATION OF TRISUBSTITUTED BENZOIC ACID PRECURSORS LUDVIK CHARLES N (US) 1993-06-10 WO disclosed