⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21534518 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL19139267 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL18866673 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL18625133 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL8516858 | 0.76 | — | — | |
| SCHEMBL18655734 | 0.74 | — | — | |
| SCHEMBL18386569 | 0.71 | — | — | |
| SCHEMBL25901205 | 0.71 | — | — | |
| SCHEMBL19944729 | 0.71 | — | — | |
| SCHEMBL19036031 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210228726-A1 | NOVEL PEPTIDIC LINKERS AND CRYPTOPHYCIN CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE | SANOFI (FR) | 2021-07-29 | — | — | US | disclosed |