SCHEMBL4837133

SCHEMBL4837133

O=C1NC(=O)C(S(=O)(=O)O)=C1c1ccccc1.[Na]

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.56
▸ GSK3B P49841 10/20 0.46
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4245334 0.98 PTGS2 (0.53) PTGS2GSK3BTSHRSMN1; SMN2
SCHEMBL11206830 0.81 PTGS2 (0.57) PTGS2GSK3B
SCHEMBL114611 0.76 PTGS2 (0.67) PTGS2GSK3B
Trifluoromethanesulfonic Acid SCHEMBL9473052 0.75 PTGS2 (0.56) PTGS2GSK3B
SCHEMBL9474080 0.74 PTGS2 (0.64) PTGS2GSK3B
SCHEMBL28141712 0.74 PTGS2 (0.58) PTGS2GSK3B
SCHEMBL10701416 0.72 PTGS2 (0.45) PTGS2GSK3B
SCHEMBL28945255 0.72 PTGS2 (0.45) PTGS2GSK3B
SCHEMBL4751671 0.71 PTGS2 (1.00) PTGS2
SCHEMBL4752031 0.71 PTGS2 (1.00) PTGS2

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
US-7378533-B1 Method for preparing thermally cleavable surfactants without deprotonation SANDIA CORPORATION (US) 2008-05-27 — — US disclosed
US-7351837-B1 Thermally cleavable surfactants without deprotonation SANDIA CORPORATION (US) 2008-04-01 — — US disclosed
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