⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9459089 | 1.00 | — | — | |
| SCHEMBL9459516 | 0.93 | — | — | |
| SCHEMBL9459761 | 0.93 | — | — | |
| SCHEMBL9459880 | 0.91 | GMNN (0.35) | — | |
| SCHEMBL9459603 | 0.91 | GMNN (0.35) | — | |
| SCHEMBL9459669 | 0.88 | GMNN (0.44) | — | |
| SCHEMBL9459247 | 0.88 | GMNN (0.44) | — | |
| SCHEMBL9459297 | 0.88 | PTGS2 (0.38) | — | |
| SCHEMBL9459269 | 0.88 | PTGS2 (0.38) | — | |
| SCHEMBL9459559 | 0.87 | — | — |
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-5234918-A | For cardiovascular, respiratory, carcinogenic and inflammatory disorders | AMERICAN CYANAMID COMPANY (US) | 1993-08-10 | — | — | US | disclosed |
| US-5215975-A | Certain hydroxy-phosphinyl-oxy-phenyl methyl-thiazolium hydroxide inner salts as PAF antagonists | AMERICAN CYANAMID COMPANY (US) | 1993-06-01 | — | — | US | disclosed |