⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1919337 | 0.70 | — | — | |
| SCHEMBL3886432 | 0.68 | — | — | |
| SCHEMBL5866547 | 0.65 | GAA (0.37) | — | |
| SCHEMBL2166445 | 0.64 | — | — | |
| SCHEMBL4180707 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL17593296 | 0.60 | — | — | |
| SCHEMBL2910159 | 0.56 | — | — | |
| SCHEMBL3885172 | 0.56 | — | — | |
| SCHEMBL7937128 | 0.56 | — | — | |
| SCHEMBL9458897 | 0.56 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4755511-A | Tricyclic pyridazinone compounds | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1988-07-05 | — | — | US | disclosed |
| EP-0181145-A2 | Heterocyclic compounds | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1986-05-14 | — | — | EP | disclosed |