SCHEMBL28986983

SCHEMBL28986983

CCCCC(C)(O)C(N)=S

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.35
GGPS1 O95749 6/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL28986982 0.85
SCHEMBL29416272 0.76 FDPS (0.40) FDPSGGPS1CA1CA2
SCHEMBL8529183 0.76 FDPS (0.40) FDPSGGPS1CA1CA2
SCHEMBL3421034 0.74
SCHEMBL7213467 0.74
SCHEMBL28461444 0.73 FDPS (0.37) FDPSSPHK2SPHK1
Hydrochloric Acid SCHEMBL11320963 0.72
SCHEMBL2103333 0.70 TSHR (0.43) CA2
SCHEMBL381209 0.70 TSHR (0.43) CA2
SCHEMBL605019 0.70 TSHR (0.43) CA2

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-113680535-B Alkyl ether group dithiophosphate collecting agent and preparation method and application thereof 中南大学 2023-03-21 CN disclosed