⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6885477 | 0.79 | FDPS (0.32) | — | |
| SCHEMBL421625 | 0.73 | — | — | |
| SCHEMBL433509 | 0.71 | — | — | |
| SCHEMBL5733242 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL536313 | 0.71 | — | — | |
| SCHEMBL10812688 | 0.70 | FDPS (0.32) | — | |
| SCHEMBL165217 | 0.70 | — | — | |
| Ethane SCHEMBL3295431 | 0.70 | — | — | |
| SCHEMBL24310228 | 0.69 | — | — | |
| SCHEMBL19742880 | 0.69 | — | — |
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-5639582-A | Electrophotographic toner composition and process for the preparation thereof | FUJI XEROX CO., LTD. (JP) | 1997-06-17 | — | — | US | disclosed |