SCHEMBL31495237

SCHEMBL31495237

CCCCOP(=O)(OCCCC)Oc1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL31495246 0.84 CYP3A4 (0.55) CYP3A4CA1CA2BCHEACHE
SCHEMBL124571 0.84 CYP3A4 (0.55) CYP3A4
SCHEMBL3233706 0.84 CYP3A4 (0.62) CYP3A4
SCHEMBL28588161 0.84 CA2 (0.60) CYP3A4CA1CA2BCHEACHE
SCHEMBL3234331 0.83 CYP3A4 (0.46) CYP3A4
SCHEMBL3234851 0.83 CYP3A4 (0.53) CYP3A4CA1CA2BCHEACHE
SCHEMBL3230130 0.83 CYP3A4 (0.53) CYP3A4CA1CA2BCHEACHE
SCHEMBL14216109 0.83 CYP3A4 (0.53) CYP3A4CA1CA2BCHEACHE
Triphenyl Phosphate SCHEMBL7526391 0.83 CYP3A4 (0.53) CYP3A4
SCHEMBL19904733 0.83 CYP3A4 (0.53) CYP3A4CA1CA2BCHEACHE

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-119823178-A Aryl phosphate diester compound and synthetic method and application thereof 中国科学院青海盐湖研究所 2025-04-15 CN disclosed