SCHEMBL9717458

SCHEMBL9717458

CCN(Cc1ccccc1)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
CNR2 P34972 18/20 0.58
CNR1 P21554 8/20 0.57
NR1H2 P55055 1/20 0.54
NR1H3 Q13133 1/20 0.54

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
SCHEMBL2112571 0.94 TSHR (0.64) TSHRCNR2CNR1
SCHEMBL5352393 0.92 CNR2 (0.55) TSHRCNR2CNR1
Sulfuric Acid SCHEMBL8957948 0.87 TSHR (0.79) TSHRCNR2CNR1NR1H2NR1H3
SCHEMBL5351677 0.87 MEN1 (0.58) TSHRCNR2CNR1
SCHEMBL27885835 0.86 CNR2 (0.65) CNR2CNR1
SCHEMBL13084294 0.85 TSHR (0.50) TSHRCNR2CNR1
SCHEMBL27732102 0.85 CNR2 (0.63) CNR2CNR1
SCHEMBL15894605 0.85 ALDH1A1 (0.53) TSHRCNR2CNR1
SCHEMBL735955 0.84 TSHR (0.58) TSHRCNR2CNR1NR1H2NR1H3
SCHEMBL7888440 0.84 TSHR (0.58) TSHRCNR2CNR1NR1H2NR1H3

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
EP-0466902-A4 STABILIZATION OF AQUEOUS PEROXYGEN SOLUTIONS 1992-05-20 EP disclosed
EP-0466902-A1 STABILIZATION OF AQUEOUS SOLUTIONS CONTAINING SODIUM PERBORATE OR SODIUM PERCARBONATE UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1992-01-22 EP disclosed
WO-1991011388-A1 STABILIZATION OF AQUEOUS PEROXYGEN SOLUTIONS UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1991-08-08 WO disclosed