SCHEMBL28625438

SCHEMBL28625438

O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28630109 1.00 F2 (0.34) F2PRSS1PRSS2PRSS3CA2
SCHEMBL28621271 1.00 F2 (0.34) F2PRSS1PRSS2PRSS3CA2
SCHEMBL28627876 1.00 F2 (0.34) F2PRSS1PRSS2PRSS3CA2
Ammonia Solution, Strong SCHEMBL28625566 0.98 F2 (0.33) F2PRSS1PRSS2PRSS3CA2
Ammonia Solution, Strong SCHEMBL28633651 0.98 F2 (0.33) F2PRSS1PRSS2PRSS3CA2
Ammonia Solution, Strong SCHEMBL29167034 0.96 F2 (0.31) F2PRSS1PRSS2PRSS3CA2
Dimethylamine SCHEMBL28621129 0.92 F2 (0.33) F2PRSS1PRSS2PRSS3CA2
Dimethylamine SCHEMBL28922463 0.92 F2 (0.33) F2PRSS1PRSS2PRSS3CA2
Dimethylamine SCHEMBL28625326 0.92 F2 (0.33) F2PRSS1PRSS2PRSS3CA2
SCHEMBL28640673 0.91 ALDH1A1 (0.32) ALDH1A1L3MBTL1

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-113252759-A Electrochemical gas sensor and electrolyte for electrochemical gas sensor 德尔格安全股份两合公司 2021-08-13 CN disclosed