⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3039322 | 0.83 | — | — | |
| SCHEMBL19084378 | 0.82 | ADH1B (0.31) | — | |
| SCHEMBL3030402 | 0.81 | — | — | |
| SCHEMBL27665 | 0.80 | — | — | |
| SCHEMBL10383716 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28067880 | 0.78 | — | — | |
| SCHEMBL10136497 | 0.78 | ADH1B (0.33) | — | |
| SCHEMBL21518266 | 0.77 | CA1 (0.36) | — | |
| Ethylene SCHEMBL27501060 | 0.76 | MAPT (0.32) | — | |
| SCHEMBL3038677 | 0.75 | TSHR (0.34) | — |
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-0903350-B1 | Pyrrolotriazole derivative | FUJI PHOTO FILM CO LTD (JP) | 2003-03-12 | — | — | EP | disclosed |