⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6129137 | 0.88 | ALDH1A1 (0.39) | — | |
| SCHEMBL11296644 | 0.82 | — | — | |
| SCHEMBL11525715 | 0.80 | CYP2C9 (0.43) | — | |
| SCHEMBL27041593 | 0.79 | CTSK (0.42) | — | |
| SCHEMBL27041595 | 0.79 | CTSK (0.42) | — | |
| SCHEMBL183477 | 0.79 | — | — | |
| SCHEMBL15657274 | 0.79 | — | — | |
| SCHEMBL1914295 | 0.79 | — | — | |
| SCHEMBL15655869 | 0.79 | — | — | |
| SCHEMBL1643969 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3864020-A1 | MACROCYCLIC FLU ENDONUCLEASE INHIBITORS | Janssen BioPharma, Inc. (US) | 2021-08-18 | — | — | EP | disclosed |