SCHEMBL28830258

SCHEMBL28830258

N#CCCOP(=O)(O)O.[LiH]

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.40
LPAR2 Q9HBW0 6/20 0.40
LPAR1 Q92633 4/20 0.40
TPI1 P60174 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 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
Water SCHEMBL6908198 0.98 LPAR3 (0.41) LPAR3LPAR2LPAR1TPI1ALDH1A1
SCHEMBL22652 0.98
Water SCHEMBL11512537 0.95 LPAR3 (0.40) LPAR3LPAR2LPAR1TPI1ALDH1A1
SCHEMBL7216239 0.95 LPAR3 (0.40) LPAR3LPAR2LPAR1TPI1ALDH1A1
SCHEMBL6653137 0.95 LPAR3 (0.40) LPAR3LPAR2LPAR1TPI1ALDH1A1
SCHEMBL6998234 0.95 LPAR3 (0.40) LPAR3LPAR2LPAR1TPI1ALDH1A1
Alcohol SCHEMBL2352329 0.89 LPAR3 (0.45) LPAR3LPAR2LPAR1
SCHEMBL8445541 0.87 LPAR3 (0.35) LPAR3LPAR2LPAR1
SCHEMBL7912997 0.86 LPAR3 (0.39) LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL497349 0.83 P2RY14 (0.34) ALDH1A1TDP1

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
CN-114957317-B Lithium cyanophosphate and preparation method and application thereof 山东海科创新研究院有限公司 2024-11-08 CN disclosed
CN-114957317-A Lithium cyanophosphate, preparation method and application thereof 山东海科创新研究院有限公司 2022-08-30 CN disclosed