⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL709998 | 0.74 | — | — | |
| SCHEMBL29360239 | 0.70 | — | — | |
| SCHEMBL209505 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL14763821 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL5816521 | 0.68 | — | — | |
| SCHEMBL6289505 | 0.68 | — | — | |
| SCHEMBL9429297 | 0.67 | — | — | |
| SCHEMBL2421745 | 0.64 | — | — | |
| SCHEMBL673578 | 0.63 | — | — | |
| SCHEMBL7445504 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0627425-B1 | 3-OXO-1,4-BENZOTHIAZINE DERIVATIVE | SANTEN PHARMACEUTICAL CO LTD (JP) | 2000-11-02 | — | — | EP | claimed |
| US-4393206-A | DEHYDROCYCLIZATION OF 2-(2-HYDROXYALKYL)-THIOANILINES | BAYER AKTIENGESELLSCHAFT (DE) | 1983-07-12 | — | — | US | disclosed |
| EP-0061082-A1 | Process for the preparation of 2,3-dihydro-4H-1,4-benzothiazines | BAYER AG (DE) | 1982-09-29 | — | — | EP | disclosed |