⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11110194 | 1.00 | — | — | |
| SCHEMBL10392475 | 0.86 | — | — | |
| SCHEMBL10588556 | 0.85 | — | — | |
| SCHEMBL11112928 | 0.81 | MAPT (0.32) | — | |
| SCHEMBL11112924 | 0.76 | PYCR1 (0.33) | — | |
| SCHEMBL11110349 | 0.76 | PYCR1 (0.33) | — | |
| SCHEMBL11033489 | 0.71 | — | — | |
| SCHEMBL29229762 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL11109830 | 0.64 | TSHR (0.40) | — | |
| SCHEMBL17331120 | 0.63 | — | — |
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-0103895-A2 | Novel hydroxylamine derivatives, production and use thereof | MEIJI SEIKA KABUSHIKI KAISHA (JP) | 1984-03-28 | — | — | EP | disclosed |