⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9054585 | 0.98 | NOS3 (0.40) | — | |
| Hydrochloric Acid SCHEMBL2112975 | 0.73 | — | — | |
| SCHEMBL10154499 | 0.69 | BACE1 (0.45) | — | |
| SCHEMBL16591520 | 0.62 | BACE1 (0.32) | — | |
| SCHEMBL19146973 | 0.62 | — | — | |
| SCHEMBL10099152 | 0.57 | — | — | |
| SCHEMBL7931240 | 0.55 | — | — | |
| SCHEMBL6416657 | 0.51 | — | — | |
| SCHEMBL16710827 | 0.51 | — | — | |
| SCHEMBL20688883 | 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 4 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 |
| CN-1124734-A | Thiazine- or thiazepine-derivatives | JAPAN TOBACCO INC (JP) | 1996-06-19 | — | — | CN | claimed |
| EP-0717040-A1 | Thiazine or thiazepine derivatives which inhibit NOS | Japan Tobacco Inc. (JP) | 1996-06-19 | — | — | EP | disclosed |
| CN-1124734-A | Thiazine- or thiazepine-derivatives | JAPAN TOBACCO INC (JP) | 1996-06-19 | — | — | CN | disclosed |