⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7220663 | 0.82 | OPRM1 (0.35) | — | |
| SCHEMBL7223363 | 0.78 | TP53 (0.33) | — | |
| SCHEMBL7223365 | 0.69 | P2RX7 (0.38) | — | |
| SCHEMBL6746847 | 0.60 | HTR2A (0.41) | — | |
| SCHEMBL7222807 | 0.57 | SCN8A (0.36) | — | |
| SCHEMBL6746868 | 0.57 | DRD2 (0.39) | — | |
| SCHEMBL8342160 | 0.56 | ALDH1A1 (0.42) | — | |
| SCHEMBL6749853 | 0.55 | KDM1A (0.46) | — | |
| SCHEMBL6751602 | 0.55 | CA12 (0.43) | — | |
| SCHEMBL8101555 | 0.53 | CYP2D6 (0.54) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6583138-B1 | Mediators or antagonists of the effects of histamine, leukotriene and the like; heterocyclic ring condensed benzothiazine compounds; inhibit the activation of the tyrosine kinase of 72 kDa | EISAI CO., LTD. (JP) | 2003-06-24 | — | — | US | claimed |
| EP-1057830-A1 | HETEROCYCLE-FUSED BENZOTHIAZINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2000-12-06 | — | — | EP | claimed |