SCHEMBL29702769

SCHEMBL29702769

C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 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
SCHEMBL12459117 1.00 CYP3A4 (0.32) CYP3A4
SCHEMBL29631828 1.00 CYP3A4 (0.32) CYP3A4
SCHEMBL12516833 0.87 — —
SCHEMBL19361211 0.84 CYP3A4 (0.30) CYP3A4
SCHEMBL12459505 0.77 CYP3A4 (0.31) CYP3A4
SCHEMBL29655269 0.77 CYP3A4 (0.31) CYP3A4
SCHEMBL13822287 0.77 CYP3A4 (0.31) CYP3A4
SCHEMBL12459119 0.73 CYP3A4 (0.32) CYP3A4
Isozaluzanin C SCHEMBL24453721 0.70 PKM (0.40) CYP3A4
Isozaluzanin C SCHEMBL17214374 0.70 PKM (0.40) CYP3A4

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
WO-2024120137-A1 SUBSTITUTED BENZAMIDE ISOXAZOLINE DERIVATIVE OR AGROCHEMICALLY ACCEPTABLE SALT THEREOF, COMPOSITION, AND USE THEREOF 海利尔药业集团股份有限公司 2024-06-13 — — WO disclosed
WO-2022121907-A1 SILICON ACRYLONITRILE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 华东理工大学 2022-06-16 — — WO disclosed
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