SCHEMBL28534817

SCHEMBL28534817

CCP(=O)(CC)OCCCO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.41
CYP3A4 P08684 1/20 0.41
LPAR3 Q9UBY5 8/20 0.40
LPAR2 Q9HBW0 6/20 0.40
LPAR1 Q92633 4/20 0.40
ALDH1A1 P00352 1/20 0.33
SAT1 P21673 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL27860328 0.93 LPAR3 (0.43) PPARDCYP3A4LPAR3LPAR2LPAR1
SCHEMBL20672347 0.85 PPARD (0.44) PPARDCYP3A4LPAR3LPAR2LPAR1
SCHEMBL5491463 0.85 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1SAT1
SCHEMBL5485248 0.85 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL10020167 0.84 PPARD (0.45) PPARDCYP3A4LPAR3LPAR2LPAR1
SCHEMBL2171452 0.83 CYP3A4 (0.50) PPARDCYP3A4LPAR3LPAR2LPAR1
SCHEMBL1359471 0.83 PPARD (0.45) PPARDCYP3A4LPAR3LPAR2LPAR1
SCHEMBL2170863 0.82 PPARD (0.43) PPARDCYP3A4LPAR3LPAR2LPAR1
SCHEMBL575803 0.80 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL2244442 0.80 LPAR3 (0.34) PPARDCYP3A4LPAR3LPAR2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480168-B Phosphorus-containing flame retardant and flame-retardant high polymer material 江苏利思德新材料有限公司 2022-05-31 CN claimed
CN-112480168-B Phosphorus-containing flame retardant and flame-retardant high polymer material 江苏利思德新材料有限公司 2022-05-31 CN disclosed
CN-112480168-A Phosphorus-containing flame retardant and flame-retardant high polymer material 江苏利思德新材料有限公司 2021-03-12 CN disclosed