⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21453677 | 0.82 | — | — | |
| SCHEMBL619373 | 0.72 | — | — | |
| SCHEMBL6980532 | 0.61 | — | — | |
| SCHEMBL6978899 | 0.61 | — | — | |
| SCHEMBL762449 | 0.59 | — | — | |
| SCHEMBL5230076 | 0.59 | — | — | |
| SCHEMBL21610574 | 0.59 | — | — | |
| SCHEMBL622211 | 0.58 | — | — | |
| SCHEMBL424823 | 0.57 | — | — | |
| SCHEMBL10434213 | 0.57 | — | — |
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-3218391-B1 | TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE | BRISTOL MYERS SQUIBB CO (US) | 2019-01-09 | — | — | EP | disclosed |