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Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL28070764

O=C(O)C1=Cc2cccc(Cc3ccccc3)c2OC1C(F)(F)F.S

nearest known ligand 0.51

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 0.51
▸ PTGS1 P23219 16/20 0.49

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
Fluoride SCHEMBL20636892 0.98 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL31539067 0.85 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6091947 0.85 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6093621 0.85 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL31539107 0.85 PTGS2 (0.55) PTGS2PTGS1
Fluoride SCHEMBL20636890 0.84 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5643951 0.83 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL5089171 0.82 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL20825706 0.82 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5644926 0.82 PTGS2 (0.65) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105585547-A 4-sulfur pentafluoride phenol compound, preparing method and preparing method for sulfur pentafluoride substituted benzopyran compound GUANGZHOU INST BIOMED & HEALTH 2016-05-18 — — CN disclosed