⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4828210 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL12802667 | 0.74 | CYP2A6 (0.35) | — | |
| SCHEMBL13845362 | 0.70 | CYP1A2 (0.33) | — | |
| SCHEMBL28437237 | 0.68 | TSHR (0.46) | — | |
| SCHEMBL12802080 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL25872160 | 0.66 | IDO1 (0.32) | — | |
| SCHEMBL12802677 | 0.66 | HRH3 (0.42) | — | |
| SCHEMBL12802065 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL12802436 | 0.63 | — | — | |
| SCHEMBL12802112 | 0.63 | MAPT (0.36) | — |
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-4215534-A1 | AMINE DERIVATIVE | Sumitomo Pharma Co., Ltd. (JP) | 2023-07-26 | — | — | EP | disclosed |