SCHEMBL25219981

SCHEMBL25219981

CC(O)CCOP(=O)(O)OCCC(C)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.35
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
ALDH1A1 P00352 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
FDPS P14324 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MVD P53602 1/20 0.31
LPAR5 Q9H1C0 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
SCHEMBL3775300 0.87 BTN3A1 (0.52) BTN3A1MVD
SCHEMBL2048486 0.86 LPAR3 (0.45) LPAR3LPAR1LPAR2PGK1PGK2
SCHEMBL26985916 0.86 LPAR3 (0.45) LPAR3LPAR1LPAR2PGK1PGK2
SCHEMBL31506206 0.86 LPAR3 (0.45) LPAR3LPAR1LPAR2PGK1PGK2
SCHEMBL1173655 0.83 ALDH1A1 (0.41) BTN3A1ALDH1A1MEN1KMT2A
SCHEMBL3697417 0.82 BTN3A1 (0.36) BTN3A1MVD
SCHEMBL3730088 0.81 BTN3A1 (0.35) BTN3A1MVD
SCHEMBL11677875 0.81 ALDH1A1 (0.39) BTN3A1ALDH1A1MEN1KMT2A
SCHEMBL20549052 0.80 THRB (0.44) BTN3A1ALDH1A1TDP1
SCHEMBL2477274 0.77 LPAR3 (0.33) BTN3A1LPAR3LPAR1LPAR2FDPS

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
WO-2023106258-A1 POLYMERIZABLE COMPOSITION FOR MANUFACTURING MOLDED ARTICLE, MOLDED ARTICLE AND MANUFACTURING METHOD THEREOF MITSUI CHEMICALS, INC. (JP) 2023-06-15 WO disclosed