⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18623914 | 0.89 | — | — | |
| SCHEMBL18636691 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL15904435 | 0.78 | KCNN4 (0.35) | — | |
| SCHEMBL18623934 | 0.78 | KCNN4 (0.35) | — | |
| SCHEMBL15904331 | 0.78 | KCNN4 (0.35) | — | |
| SCHEMBL17169474 | 0.78 | KCNN4 (0.35) | — | |
| SCHEMBL17169242 | 0.75 | EPHX1 (0.41) | — | |
| SCHEMBL2140413 | 0.73 | IDO1 (0.31) | — | |
| SCHEMBL17118662 | 0.71 | KCNN4 (0.34) | — | |
| SCHEMBL17169282 | 0.69 | ADRB2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170073337-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2017-03-16 | — | — | US | disclosed |
| US-20170073337-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2017-03-16 | — | — | US | disclosed |
| WO-2015156421-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-10-15 | — | — | WO | disclosed |