⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6975783 | 0.76 | — | — | |
| SCHEMBL6967244 | 0.76 | — | — | |
| SCHEMBL6977042 | 0.70 | — | — | |
| SCHEMBL6982032 | 0.69 | TP53 (0.32) | — | |
| SCHEMBL6980592 | 0.67 | FFAR1 (0.33) | — | |
| SCHEMBL16041417 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL16041419 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL6981416 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL6977440 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL6970537 | 0.62 | MEN1 (0.30) | — |
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-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | claimed |