⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL872710 | 0.79 | — | — | |
| SCHEMBL4671995 | 0.75 | ADH1C (0.35) | — | |
| SCHEMBL2381201 | 0.73 | ADH1C (0.39) | — | |
| SCHEMBL1450811 | 0.71 | — | — | |
| SCHEMBL22011017 | 0.69 | — | — | |
| SCHEMBL4622384 | 0.66 | — | — | |
| SCHEMBL4672211 | 0.64 | TRPA1 (0.30) | — | |
| SCHEMBL8057652 | 0.64 | ADH1B (0.36) | — | |
| SCHEMBL13485527 | 0.62 | — | — | |
| SCHEMBL3649560 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022175359-A1 | NO SUGAR CRUNCHIES | GIVAUDAN SA (CH) | 2022-08-25 | — | — | WO | disclosed |