⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2013521 | 0.78 | — | — | |
| SCHEMBL10885987 | 0.78 | — | — | |
| SCHEMBL5643160 | 0.78 | — | — | |
| SCHEMBL571231 | 0.78 | — | — | |
| SCHEMBL5644585 | 0.78 | — | — | |
| SCHEMBL6545430 | 0.78 | — | — | |
| SCHEMBL10439395 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL4657208 | 0.78 | — | — | |
| SCHEMBL947089 | 0.78 | — | — | |
| SCHEMBL175436 | 0.78 | — | — |
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-4616015-A | HYPOTENSIVE AGENT, ANTULCER AGENT, ANTICOAGULANT | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-10-07 | — | — | US | disclosed |
| EP-0122627-A2 | Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-10-24 | — | — | EP | disclosed |