⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14519666 | 0.76 | CHRM1 (0.52) | — | |
| Water SCHEMBL731137 | 0.74 | — | — | |
| SCHEMBL1802826 | 0.74 | — | — | |
| SCHEMBL9215139 | 0.74 | — | — | |
| SCHEMBL5154233 | 0.72 | — | — | |
| SCHEMBL16255362 | 0.70 | — | — | |
| SCHEMBL9549520 | 0.69 | CYP1A2 (0.37) | — | |
| SCHEMBL10918021 | 0.69 | — | — | |
| SCHEMBL9696714 | 0.69 | — | — | |
| SCHEMBL15395568 | 0.69 | CYP1A2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0570197-B1 | Hydroxylamine derivatives | ZENECA LTD (GB) | 1995-12-13 | — | — | EP | claimed |
| EP-0570197-A1 | Hydroxylamine derivatives | ZENECA LIMITED (GB) | 1993-11-18 | — | — | EP | claimed |
| EP-0570197-B1 | Hydroxylamine derivatives | ZENECA LTD (GB) | 1995-12-13 | — | — | EP | disclosed |
| EP-0570197-A1 | Hydroxylamine derivatives | ZENECA LIMITED (GB) | 1993-11-18 | — | — | EP | disclosed |