⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22028383 | 0.77 | — | — | |
| SCHEMBL25470793 | 0.73 | — | — | |
| SCHEMBL30887044 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL5189598 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL28823601 | 0.70 | — | — | |
| SCHEMBL16308857 | 0.68 | BCHE (0.32) | — | |
| SCHEMBL30421978 | 0.68 | BCHE (0.32) | — | |
| SCHEMBL26849440 | 0.66 | ALDH1A1 (0.45) | — | |
| SCHEMBL23676631 | 0.66 | CTDSP1 (0.37) | — | |
| SCHEMBL24492933 | 0.65 | NOS3 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025064848-A1 | SPIROCYCLIC DIHYDROPYRANOPYRIDINE KRAS INHIBITORS | Treeline Biosciences, Inc. (US) | 2025-03-27 | — | — | WO | disclosed |
| WO-2020067594-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | 희성소재(주) | 2020-04-02 | — | — | WO | disclosed |