⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25561206 | 1.00 | — | — | |
| SCHEMBL27317277 | 0.86 | — | — | |
| SCHEMBL6889454 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL6888126 | 0.78 | — | — | |
| SCHEMBL22699234 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL10248951 | 0.69 | — | — | |
| SCHEMBL2628486 | 0.69 | — | — | |
| SCHEMBL4546675 | 0.68 | — | — | |
| SCHEMBL22524764 | 0.67 | — | — | |
| SCHEMBL26340279 | 0.67 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240208923-A1 | SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION | JNANA THERAPEUTICS INC. | 2024-06-27 | — | — | US | disclosed |
| WO-2024076672-A1 | HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF | AMGEN INC. (US) | 2024-04-11 | — | — | WO | disclosed |