⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8918053 | 1.00 | — | — | |
| SCHEMBL9543395 | 1.00 | — | — | |
| SCHEMBL5983704 | 0.76 | — | — | |
| SCHEMBL5983706 | 0.76 | — | — | |
| SCHEMBL18569420 | 0.75 | — | — | |
| SCHEMBL3644434 | 0.75 | — | — | |
| SCHEMBL1177521 | 0.75 | — | — | |
| SCHEMBL3480981 | 0.72 | — | — | |
| SCHEMBL3480983 | 0.72 | — | — | |
| SCHEMBL9101499 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993010097-A1 | NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-05-27 | — | — | WO | disclosed |