⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276878 | 0.97 | — | — | |
| SCHEMBL7101651 | 0.91 | — | — | |
| SCHEMBL10045145 | 0.91 | CYP2C19 (0.35) | — | |
| SCHEMBL11572193 | 0.86 | CYP2C19 (0.35) | — | |
| SCHEMBL11922983 | 0.85 | TSHR (0.41) | — | |
| SCHEMBL10045142 | 0.83 | CYP2C19 (0.50) | — | |
| SCHEMBL24178682 | 0.82 | TSHR (0.48) | — | |
| SCHEMBL9441239 | 0.82 | — | — | |
| SCHEMBL9441243 | 0.82 | — | — | |
| SCHEMBL11016540 | 0.80 | HTR2A (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6162875-A | Low nitrosamine systems for rubber vulcanization | ROBINSON BROTHERS LIMITED (GB) | 2000-12-19 | — | — | US | disclosed |
| EP-0588559-B1 | Low nitrosamine systems for rubber vulcanisation | ROBINSON BROS LTD (GB) | 1999-05-06 | — | — | EP | disclosed |
| EP-0588559-A2 | Low nitrosamine systems for rubber vulcanisation | ROBINSON BROTHERS LIMITED (GB) | 1994-03-23 | — | — | EP | disclosed |