⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28021010 | 0.55 | — | — | |
| SCHEMBL27712136 | 0.55 | — | — | |
| SCHEMBL11891517 | 0.53 | — | — | |
| SCHEMBL27842880 | 0.44 | ALDH1A1 (0.44) | — | |
| SCHEMBL25497711 | 0.42 | — | — | |
| SCHEMBL12230496 | 0.42 | — | — | |
| SCHEMBL25238328 | 0.42 | — | — | |
| SCHEMBL28518907 | 0.40 | ALDH1A1 (0.47) | — | |
| SCHEMBL15359623 | 0.39 | — | — | |
| Acetaldehyde SCHEMBL103620 | 0.39 | — | — |
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-2012039972-A1 | PHARMACEUTICAL COMPOSITION | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2012-03-29 | — | — | WO | disclosed |