⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17446962 | 0.89 | — | — | |
| SCHEMBL13545394 | 0.87 | CYP2C19 (0.47) | — | |
| SCHEMBL25447009 | 0.83 | KDM4E (0.36) | — | |
| SCHEMBL27685278 | 0.81 | BDKRB2 (0.38) | — | |
| SCHEMBL24896647 | 0.81 | KDM4E (0.35) | — | |
| SCHEMBL28219846 | 0.78 | CYP2D6 (0.32) | — | |
| SCHEMBL25612020 | 0.76 | CYP2C19 (0.36) | — | |
| SCHEMBL28199614 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL15460034 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL20077536 | 0.73 | POLB (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024057013-A1 | NLRP3 MODULATORS | EXSCIENTIA AI LIMITED (GB) | 2024-03-21 | — | — | WO | disclosed |
| US-9493485-B2 | Spirocyclic dihydro-thiazine and dihydro-oxazine BACE inhibitors, and compositions and uses thereof | IMAGO PHARMACEUTICALS, INC. (US) | 2016-11-15 | — | — | US | disclosed |
| US-20160272654-A1 | SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF | IMAGO PHARMACEUTICALS, INC. (US) | 2016-09-22 | — | — | US | disclosed |
| US-20150307518-A1 | SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF | ELAN PHARMACEUTICALS, INC. | 2015-10-29 | — | — | US | disclosed |
| US-20150087826-A1 | SPIROCYCLIC DIGYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF | XU YING-ZI (US) | 2015-03-26 | — | — | US | disclosed |
| US-20150087825-A1 | SPIROCYCLIC DIGYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF | XU YING-ZI (US) | 2015-03-26 | — | — | US | disclosed |
| EP-0226254-B1 | Process for obtaining non informational substantially pure polydesoxyribonucleotides having biologic activities, and respective product | FARMIGEA SPA (IT) | 1993-12-08 | — | — | EP | disclosed |