⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11260859 | 1.00 | — | — | |
| SCHEMBL14541957 | 0.78 | — | — | |
| SCHEMBL8519759 | 0.76 | — | — | |
| SCHEMBL15367978 | 0.76 | — | — | |
| SCHEMBL482728 | 0.76 | — | — | |
| SCHEMBL21081783 | 0.76 | TDP1 (0.44) | — | |
| SCHEMBL9155393 | 0.75 | — | — | |
| SCHEMBL31362257 | 0.74 | ALDH1A1 (0.58) | — | |
| SCHEMBL8916241 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL5529299 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023198901-A1 | NOVEL SUBSTITUTED 4-AMINO-4-OXO-BUT-2-ENYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF | SANOFI (FR) | 2023-10-19 | — | — | WO | disclosed |