⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6015940 | 0.81 | PTGES (0.32) | — | |
| SCHEMBL6016023 | 0.79 | — | — | |
| SCHEMBL6015677 | 0.72 | MCHR1 (0.34) | — | |
| SCHEMBL6015858 | 0.72 | TDP1 (0.33) | — | |
| SCHEMBL6015854 | 0.70 | NUDT1 (0.31) | — | |
| SCHEMBL6015820 | 0.70 | MEN1 (0.43) | — | |
| SCHEMBL6015642 | 0.69 | — | — | |
| SCHEMBL6015855 | 0.67 | TSHR (0.40) | — | |
| SCHEMBL7614022 | 0.66 | MKNK1 (0.38) | — | |
| SCHEMBL10076879 | 0.65 | MEN1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7049312-B1 | Benzothiazinone and benzoxazinone compounds | ABBOTT GMBH & CO. KG (DE) | 2006-05-23 | — | — | US | claimed |
| EP-1181282-A2 | BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-27 | — | — | EP | claimed |
| WO-2000075139-A2 | BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-14 | — | — | WO | claimed |
| US-7049312-B1 | Benzothiazinone and benzoxazinone compounds | ABBOTT GMBH & CO. KG (DE) | 2006-05-23 | — | — | US | disclosed |