SCHEMBL29246735

SCHEMBL29246735

O=S(=O)(O)CCBr.O=S(=O)(O)CCBr.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
PDE4A P27815 1/20 0.45
LMNA P02545 1/20 0.45
SLC6A6 P31641 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 1/20 0.45
APP P05067 1/20 0.41
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL27743820 1.00
SCHEMBL24926 0.97
Ammonia Solution, Strong SCHEMBL9848981 0.93
Hydrochloric Acid SCHEMBL28194520 0.93
SCHEMBL7177164 0.93
Bromide SCHEMBL28194514 0.90
SCHEMBL4457158 0.85 LMNA (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1037226 0.81
SCHEMBL5022373 0.78 PTGS1 (0.56) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL920488 0.78 PTGS1 (0.56) PTGS1PDE4ALMNASLC6A6CYP2C19

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-115298287-B Methanogenesis inhibitor composition and method for inhibiting methanogenesis 组合化学工业株式会社 2024-05-14 CN disclosed