SCHEMBL30489750

SCHEMBL30489750

CCCCCCCCCCCCN(C)C.CCCCCCCCCCCCN(C)C.CCOP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.56
LPAR3 Q9UBY5 5/20 0.55
LPAR1 Q92633 3/20 0.55
LPAR2 Q9HBW0 3/20 0.55
S1PR2 O95136 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
S1PR5 Q9H228 1/20 0.49
GGPS1 O95749 3/20 0.46
LPAR5 Q9H1C0 1/20 0.42
SMPD1 P17405 2/20 0.42

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
SCHEMBL28359664 0.87 LPAR3 (0.75) DNM1LPAR3LPAR1LPAR2S1PR2
SCHEMBL28355549 0.87 LPAR3 (0.75) DNM1LPAR3LPAR1LPAR2S1PR2
Hexadecyl Dihydrogen Phosphate SCHEMBL28355734 0.87 LPAR3 (0.75) DNM1LPAR3LPAR1LPAR2S1PR2
SCHEMBL28355648 0.87 LPAR3 (0.75) DNM1LPAR3LPAR1LPAR2S1PR2
SCHEMBL28355722 0.87 LPAR3 (0.75) DNM1LPAR3LPAR1LPAR2S1PR2
SCHEMBL28359633 0.87 LPAR3 (0.75) DNM1LPAR3LPAR1LPAR2S1PR2
Phosphoric Acid Monododecyl Ester SCHEMBL28355225 0.87 LPAR3 (0.75) DNM1LPAR3LPAR1LPAR2S1PR2
SCHEMBL28359738 0.87 LPAR3 (0.75) DNM1LPAR3LPAR1LPAR2S1PR2
Phosphoric Acid Monotetradecyl Ester SCHEMBL28359652 0.87 LPAR3 (0.75) DNM1LPAR3LPAR1LPAR2S1PR2
Heptane SCHEMBL5657 0.86 LPAR3 (0.71) LPAR3LPAR1LPAR2LPAR5SMPD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113710331-B Antimicrobial mixture 西姆莱斯股份公司 2024-03-22 CN disclosed
CN-116583261-A Method for combating microorganisms using menthol derivatives 西姆莱斯股份公司 2023-08-11 CN disclosed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN disclosed
CN-113543637-B Antimicrobial mixture 西姆莱斯股份公司 2023-07-14 CN disclosed