SCHEMBL28640917

SCHEMBL28640917

O=P(OCCCl)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 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
SCHEMBL575301 0.79 MEN1 (0.33)
SCHEMBL575628 0.77 MEN1 (0.34)
SCHEMBL575316 0.76 CYP3A4 (0.48)
SCHEMBL575498 0.74 MMP1 (0.42) ALDH1A1
SCHEMBL4276900 0.74 MMP1 (0.42) ALDH1A1
Phosphine SCHEMBL6544069 0.72 LPAR3 (0.47) ALDH1A1
SCHEMBL575631 0.71 TSHR (0.42)
SCHEMBL28848158 0.70 ACHE (0.31)
SCHEMBL575841 0.69 CYP1A2 (0.31)
SCHEMBL575540 0.66 ACHE (0.35) ALDH1A1

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-113372383-B Preparation method of organic phosphate compound 中南大学 2022-08-02 CN disclosed
CN-113372383-A Preparation method of organic phosphate compound 中南大学 2021-09-10 CN disclosed