⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16925493 | 0.94 | — | — | |
| SCHEMBL13003168 | 0.94 | — | — | |
| 3-Fluoro-Piperidinium SCHEMBL12071659 | 0.81 | — | — | |
| 3-Fluoro-Piperidinium SCHEMBL26108 | 0.81 | — | — | |
| 3-Fluoro-Piperidinium SCHEMBL234401 | 0.81 | — | — | |
| 3-Fluoro-Piperidinium SCHEMBL16934912 | 0.79 | — | — | |
| 3-Fluoro-Piperidinium SCHEMBL4931214 | 0.79 | — | — | |
| 3-Fluoro-Piperidinium SCHEMBL25959 | 0.79 | — | — | |
| 4-Fluoro-Piperidinium SCHEMBL9503 | 0.79 | — | — | |
| SCHEMBL23418857 | 0.77 | ALDH1A1 (0.35) | — |
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-2023018810-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AMGEN INC. (US) | 2023-02-16 | — | — | WO | disclosed |
| WO-2023018809-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AMGEN INC. (US) | 2023-02-16 | — | — | WO | disclosed |