⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12769538 | 0.85 | — | — | |
| SCHEMBL12049855 | 0.85 | — | — | |
| SCHEMBL12151505 | 0.84 | CYP2D6 (0.36) | — | |
| SCHEMBL12151506 | 0.81 | — | — | |
| SCHEMBL19891559 | 0.81 | — | — | |
| SCHEMBL19891516 | 0.81 | — | — | |
| SCHEMBL23113791 | 0.81 | L3MBTL1 (0.35) | — | |
| SCHEMBL20228547 | 0.80 | — | — | |
| SCHEMBL9633277 | 0.80 | — | — | |
| SCHEMBL20211426 | 0.80 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230357300-A1 | TRITERPENE SAPONIN SYNTHESIS, INTERMEDIATES AND ADJUVANT COMBINATIONS | ADJUVANCE TECHNOLOGIES, INC. (US) | 2023-11-09 | — | — | US | disclosed |