⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9060815 | 0.98 | NOS1 (0.47) | — | |
| SCHEMBL3191452 | 0.86 | — | — | |
| SCHEMBL13479874 | 0.86 | — | — | |
| Fumaric Acid SCHEMBL9060406 | 0.85 | NOS3 (0.37) | — | |
| Fumaric Acid SCHEMBL9060412 | 0.85 | NOS3 (0.37) | — | |
| Hydrochloric Acid SCHEMBL3178761 | 0.84 | NOS1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL1922632 | 0.84 | — | — | |
| SCHEMBL6330626 | 0.72 | — | — | |
| SCHEMBL8401014 | 0.65 | — | — | |
| SCHEMBL24928529 | 0.64 | NOS1 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0717040-A1 | Thiazine or thiazepine derivatives which inhibit NOS | Japan Tobacco Inc. (JP) | 1996-06-19 | — | — | EP | claimed |
| EP-0717040-A1 | Thiazine or thiazepine derivatives which inhibit NOS | Japan Tobacco Inc. (JP) | 1996-06-19 | — | — | EP | disclosed |