⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8920082 | 0.93 | — | — | |
| SCHEMBL28725469 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL29222718 | 0.65 | — | — | |
| SCHEMBL5007954 | 0.64 | TP53 (0.39) | — | |
| SCHEMBL3794648 | 0.62 | TP53 (0.37) | — | |
| SCHEMBL6557123 | 0.62 | TP53 (0.37) | — | |
| SCHEMBL6687768 | 0.62 | TP53 (0.37) | — | |
| SCHEMBL1094031 | 0.62 | TP53 (0.37) | — | |
| 1,4-Butanediol SCHEMBL30932429 | 0.55 | — | — | |
| 1,4-Butanediol SCHEMBL324322 | 0.55 | SMN1; SMN2 (0.58) | — |
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 |