SCHEMBL29326702

SCHEMBL29326702

CCC(=O)N[C@H]1[C@H]([C@H](C)[C@@H](COC(C)=O)OC(C)=O)O[C@](Sc2ccc(C)cc2)(C(=O)OC)C[C@@H]1OC(C)=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL27390994 0.94 POLB (0.31) —
SCHEMBL24630222 0.86 — —
SCHEMBL24630325 0.86 — —
SCHEMBL31695277 0.86 ABCB1 (0.30) —
SCHEMBL29326715 0.86 — —
SCHEMBL24630168 0.86 ABCB1 (0.30) —
SCHEMBL31225296 0.84 — —
SCHEMBL27390985 0.83 CD22 (0.36) —
SCHEMBL27391585 0.80 — —
SCHEMBL29326770 0.80 TDP1 (0.31) —

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
US-20240238422-A1 Hypoimmunogenic Biotherapeutics ADAXION THERAPEUTICS, INC. 2024-07-18 — — US disclosed
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