⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42726 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL11837276 | 0.94 | — | — | |
| Toluene SCHEMBL2927492 | 0.75 | CA2 (0.52) | — | |
| SCHEMBL42318 | 0.73 | — | — | |
| SCHEMBL9077931 | 0.73 | CA1 (0.39) | — | |
| SCHEMBL15872014 | 0.73 | CA1 (0.56) | — | |
| SCHEMBL242031 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11222069 | 0.71 | — | — | |
| SCHEMBL3871336 | 0.69 | — | — | |
| SCHEMBL41856 | 0.69 | — | — |
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-0495594-B1 | Sulphonamide derivatives | ZENECA LTD (GB) | 1996-03-20 | — | — | EP | claimed |