SCHEMBL30104897

SCHEMBL30104897

O=C1OC(OC2CCCCC2)C(SC2=C(Cl)C(=O)OC2OC2CCCCC2)=C1Cl

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.35

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
SCHEMBL29940607 0.81 CCKBR (0.37) CCKBR
SCHEMBL29822026 0.68 CYP3A4 (0.31)
SCHEMBL30104905 0.65 NPSR1 (0.37)
SCHEMBL9066803 0.57 HPGD (0.36)
SCHEMBL6333537 0.57 CA1 (0.41)
SCHEMBL199270 0.57 CA1 (0.41)
SCHEMBL5640745 0.57 CA1 (0.41)
SCHEMBL6100779 0.57 CA1 (0.41)
SCHEMBL9725970 0.57 CA1 (0.41)
SCHEMBL10775019 0.57 CA1 (0.41)

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-115583927-B Thioether compound, and preparation method and application thereof 华南师范大学 2024-07-12 CN disclosed
CN-115583927-A Thioether compound and preparation method and application thereof 华南师范大学 2023-01-10 CN disclosed