⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28650343 | 1.00 | — | — | |
| SCHEMBL28347788 | 0.91 | — | — | |
| SCHEMBL28347786 | 0.91 | — | — | |
| SCHEMBL28923759 | 0.89 | MEN1 (0.30) | — | |
| SCHEMBL28400487 | 0.76 | DUT (0.30) | — | |
| SCHEMBL28624406 | 0.75 | — | — | |
| SCHEMBL28335192 | 0.75 | — | — | |
| SCHEMBL22344873 | 0.75 | — | — | |
| SCHEMBL22089728 | 0.73 | — | — | |
| SCHEMBL28462230 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113631560-A | Azetidino-benzodiazepine dimers and conjugates comprising same for the treatment of cancer | 麦迪穆有限责任公司 | 2021-11-09 | — | — | CN | disclosed |