⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20143283 | 1.00 | — | — | |
| SCHEMBL14938491 | 0.80 | — | — | |
| SCHEMBL14938490 | 0.80 | — | — | |
| SCHEMBL21466271 | 0.79 | THRB (0.68) | — | |
| SCHEMBL13963966 | 0.78 | THRB (0.55) | — | |
| SCHEMBL18211354 | 0.78 | THRB (0.55) | — | |
| SCHEMBL17660522 | 0.78 | THRB (0.55) | — | |
| SCHEMBL23870551 | 0.75 | THRB (0.52) | — | |
| SCHEMBL22274157 | 0.75 | THRB (0.52) | — | |
| SCHEMBL18812118 | 0.75 | THRB (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10815248-B2 | Labeled chemically reactive and biologically active conjugates, and methods and compositions thereof | SUN YI (US) | 2020-10-27 | — | — | US | disclosed |
| EP-3154997-B1 | AURISTATIN DERIVATIVES AND CONJUGATES THEREOF | NOVARTIS AG (CH) | 2020-02-19 | — | — | EP | disclosed |
| EP-3082877-B1 | CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF | NOVARTIS AG (CH) | 2019-08-28 | — | — | EP | disclosed |