⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6015981 | 0.82 | — | — | |
| SCHEMBL5497510 | 0.72 | ATM (0.47) | — | |
| SCHEMBL7192679 | 0.71 | ATM (0.50) | — | |
| SCHEMBL5653178 | 0.68 | AXL (0.41) | — | |
| SCHEMBL6015904 | 0.66 | ALDH1A1 (0.57) | — | |
| SCHEMBL3871239 | 0.66 | ATM (0.54) | — | |
| SCHEMBL6015984 | 0.63 | ALDH1A1 (0.59) | — | |
| SCHEMBL27631244 | 0.63 | HTR2C (0.44) | — | |
| SCHEMBL17232880 | 0.63 | ATM (0.50) | — | |
| SCHEMBL6015640 | 0.63 | BCHE (0.51) | — |
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 6 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 |
| EP-1181282-A2 | BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000075139-A2 | BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-14 | — | — | WO | disclosed |