⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21370383 | 1.00 | — | — | |
| SCHEMBL14064139 | 0.91 | — | — | |
| SCHEMBL19303661 | 0.91 | — | — | |
| SCHEMBL5743485 | 0.91 | — | — | |
| SCHEMBL17581744 | 0.91 | — | — | |
| SCHEMBL19443294 | 0.91 | — | — | |
| SCHEMBL18830474 | 0.91 | — | — | |
| SCHEMBL6568297 | 0.91 | — | — | |
| SCHEMBL13703495 | 0.91 | — | — | |
| SCHEMBL23995573 | 0.91 | — | — |
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-8808679-B2 | Auristatin compounds and conjugates thereof | MERSANA THERAPEUTICS, INC. (US) | 2014-08-19 | — | — | US | disclosed |