⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19908630 | 0.61 | — | — | |
| SCHEMBL19789247 | 0.61 | — | — | |
| SCHEMBL3388438 | 0.54 | — | — | |
| SCHEMBL18721966 | 0.53 | — | — | |
| SCHEMBL27794328 | 0.52 | — | — | |
| SCHEMBL27527448 | 0.48 | — | — | |
| 4-Aminophenol SCHEMBL27616017 | 0.48 | ALDH1A1 (0.77) | — | |
| Alcohol SCHEMBL10901320 | 0.47 | MEN1 (0.57) | — | |
| SCHEMBL13261210 | 0.46 | — | — | |
| SCHEMBL487080 | 0.46 | — | — |
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-3004110-B1 | PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2017-07-26 | — | — | EP | disclosed |