⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29494383 | 0.89 | ALDH1A1 (0.48) | — | |
| SCHEMBL29494221 | 0.87 | KDM4E (0.47) | — | |
| SCHEMBL29494499 | 0.87 | — | — | |
| SCHEMBL29494316 | 0.86 | ALDH1A1 (0.57) | — | |
| SCHEMBL29494510 | 0.85 | ALDH1A1 (0.46) | — | |
| SCHEMBL29494527 | 0.85 | — | — | |
| SCHEMBL29494285 | 0.85 | — | — | |
| SCHEMBL29494495 | 0.84 | — | — | |
| SCHEMBL29494340 | 0.84 | — | — | |
| SCHEMBL29494354 | 0.84 | — | — |
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-2022070048-A1 | NOVEL AMIDE DERIVATIVES | CADILA HEALTHCARE LIMITED (IN) | 2022-04-07 | — | — | WO | disclosed |