⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3651286 | 0.78 | — | — | |
| SCHEMBL467306 | 0.73 | — | — | |
| SCHEMBL4729422 | 0.70 | — | — | |
| SCHEMBL1076333 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL6639915 | 0.69 | CA2 (0.37) | — | |
| SCHEMBL1768412 | 0.69 | — | — | |
| SCHEMBL1243558 | 0.69 | — | — | |
| SCHEMBL3947126 | 0.68 | — | — | |
| SCHEMBL2351201 | 0.67 | CALM1 (0.46) | — | |
| SCHEMBL2454500 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0112637-A3 | CHEMICAL PROCESS FOR PREPARING H2-ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1985-08-21 | — | — | EP | disclosed |
| EP-0112637-A2 | Chemical process for preparing H2-antagonists | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-07-04 | — | — | EP | disclosed |