⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6980887 | 0.97 | — | — | |
| SCHEMBL6972849 | 0.96 | — | — | |
| SCHEMBL6969395 | 0.80 | — | — | |
| SCHEMBL6979882 | 0.77 | — | — | |
| SCHEMBL6973770 | 0.75 | LTA4H (0.44) | — | |
| SCHEMBL6976741 | 0.74 | NOS3 (0.39) | — | |
| SCHEMBL6976024 | 0.74 | RAD52 (0.40) | — | |
| SCHEMBL6970814 | 0.74 | CYP1A2 (0.33) | — | |
| SCHEMBL6973794 | 0.72 | CYP1A2 (0.38) | — | |
| SCHEMBL6969163 | 0.71 | CHRNA1 (0.32) | — |
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 |