⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1099753 | 0.80 | — | — | |
| SCHEMBL1099184 | 0.77 | MAOA (0.53) | — | |
| SCHEMBL1098542 | 0.75 | MAOA (0.51) | — | |
| SCHEMBL771396 | 0.74 | — | — | |
| SCHEMBL998857 | 0.74 | — | — | |
| SCHEMBL4495546 | 0.72 | MAOA (0.38) | — | |
| SCHEMBL5724010 | 0.72 | MAOA (0.38) | — | |
| SCHEMBL10280098 | 0.72 | MAOA (0.43) | — | |
| SCHEMBL6684603 | 0.70 | MAOA (0.38) | — | |
| SCHEMBL5001840 | 0.70 | MAOA (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4225606-A | ANTIARRHYTHEMIA AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-09-30 | — | — | US | disclosed |