⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24031642 | 0.79 | — | — | |
| SCHEMBL22684513 | 0.76 | — | — | |
| SCHEMBL20626045 | 0.75 | — | — | |
| SCHEMBL27845237 | 0.72 | — | — | |
| SCHEMBL11767844 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11766392 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL16509377 | 0.69 | — | — | |
| SCHEMBL20364180 | 0.69 | — | — | |
| SCHEMBL19368438 | 0.69 | — | — | |
| SCHEMBL13993531 | 0.65 | ALDH1A1 (0.34) | — |
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-3154997-B1 | AURISTATIN DERIVATIVES AND CONJUGATES THEREOF | NOVARTIS AG (CH) | 2020-02-19 | — | — | EP | disclosed |