⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1937188 | 0.67 | — | — | |
| SCHEMBL44747 | 0.67 | — | — | |
| SCHEMBL1937143 | 0.67 | — | — | |
| SCHEMBL12209468 | 0.57 | — | — | |
| SCHEMBL14303643 | 0.57 | — | — | |
| SCHEMBL11221646 | 0.55 | — | — | |
| SCHEMBL7629145 | 0.50 | — | — | |
| SCHEMBL1032060 | 0.50 | — | — | |
| SCHEMBL1033660 | 0.50 | — | — | |
| SCHEMBL154214 | 0.50 | — | — |
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-0724570-B1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 1999-03-03 | — | — | EP | claimed |