Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL11010306

CCCCCCCCCCCCCCCCCC(C)(C)I.S

nearest known ligand 0.44

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 6/20 0.44
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.44
SLC22A1 O15245 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FDPS P14324 8/20 0.38
DNM1 Q05193 1/20 0.38

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
SCHEMBL18214509 0.97 TSHR (0.47) GGPS1TSHRTHRBFDPS
SCHEMBL10702811 0.97 TSHR (0.47) GGPS1TSHRTHRBFDPS
SCHEMBL11687981 0.94 GGPS1 (0.44) GGPS1TSHRTHRBFDPS
SCHEMBL15613358 0.94
SCHEMBL13767876 0.85
Hydrogen Sulfide SCHEMBL11683358 0.79 GGPS1 (0.41) GGPS1TSHRTHRBSLC22A1ALDH1A1
SCHEMBL10704293 0.78 GGPS1 (0.44) GGPS1TSHRTHRBFDPS
SCHEMBL16970194 0.77 TSHR (0.50) GGPS1TSHRTHRBFDPS
SCHEMBL16969681 0.77 TSHR (0.50) GGPS1TSHRTHRBFDPS
SCHEMBL16970061 0.77 TSHR (0.50) GGPS1TSHRTHRBFDPS

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-0131354-A1 Alkylsulfonium salts of N-phosphonomethylglycine STAUFFER CHEMICAL COMPANY (US) 1985-01-16 EP disclosed
US-4464194-A Mixed alkylsulfonium salts of N-phosphonomethylglycine STAUFFER CHEMICAL COMPANY (US) 1984-08-07 US disclosed