⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6969276 | 0.95 | — | — | |
| SCHEMBL6980096 | 0.70 | GNAO1 (0.32) | — | |
| SCHEMBL6982032 | 0.69 | TP53 (0.32) | — | |
| SCHEMBL6977440 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL6981416 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL6972457 | 0.67 | — | — | |
| SCHEMBL6971926 | 0.67 | PDCD1 (0.30) | — | |
| SCHEMBL6907900 | 0.67 | — | — | |
| SCHEMBL6972521 | 0.66 | CA2 (0.34) | — | |
| SCHEMBL7088045 | 0.64 | DPP4 (0.44) | — |
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 |