SCHEMBL3686035

SCHEMBL3686035

NOS(=O)(=O)OOS(=O)(=O)O.NOS(=O)(=O)OOS(=O)(=O)O.O=S(=O)(O)OOS(=O)(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.59
TSHR P16473 2/20 0.32
CA1 P00915 1/20 0.32
NT5E P21589 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10960049 1.00 CA2 (0.59) CA2TSHRCA1NT5ECA4
SCHEMBL7698536 0.97 CA2 (0.56) CA2TSHRCA1NT5ECA4
Sulfuric Acid SCHEMBL9899082 0.97 CA2 (0.56) CA2TSHRCA1NT5ECA4
Ammonia Solution, Strong SCHEMBL6226303 0.97 CA2 (0.56) CA2TSHRCA1NT5ECA4
Ammonia Solution, Strong SCHEMBL2546209 0.81 CA2 (0.67) CA2TSHRCA1NT5ECA4
SCHEMBL918032 0.78 CA2 (0.71) CA2TSHRCA1NT5ECA4
Hydrazine SCHEMBL9329547 0.77 CA2 (0.83) CA2TSHRCA1NT5ECA4
SCHEMBL7217 0.77 CA2 (1.00) CA2TSHRCA1NT5ECA4
SCHEMBL9727127 0.77 CA2 (1.00) CA2TSHRCA1NT5ECA4
SCHEMBL11043311 0.77 CA2 (1.00) CA2TSHRCA1NT5ECA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154961-A1 ANTI-MICROBIAL COMPOSITION AND METHOD FOR MAKING AND USING SAME Bioneutral Laboratories Corporation (US) 2010-02-24 EP disclosed
WO-2008140974-A1 ANTI-MICROBIAL COMPOSITION AND METHOD FOR MAKING AND USING SAME BIONEUTRAL LABORATORIES CORPORATION (US) 2008-11-20 WO disclosed