⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30760538 | 0.77 | MAPT (0.34) | — | |
| SCHEMBL7348216 | 0.77 | MAPT (0.34) | — | |
| SCHEMBL628550 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL8080512 | 0.75 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL15218852 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL15218851 | 0.73 | POLB (0.36) | — | |
| SCHEMBL8081173 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL14140107 | 0.71 | MAPT (0.31) | — | |
| SCHEMBL15218861 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL29724281 | 0.69 | POLB (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2958918-B1 | DIHYDROPTERIDINONES II | BOEHRINGER INGELHEIM INT (DE) | 2016-12-07 | — | — | EP | disclosed |
| US-8865716-B2 | Dihydropteridinones II | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-10-21 | — | — | US | disclosed |
| US-8865716-B2 | Dihydropteridinones II | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-10-21 | — | — | US | disclosed |
| WO-2014127816-A1 | DIHYDROPTERIDINONES II | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-08-28 | — | — | WO | disclosed |
| US-20130225593-A1 | DIHYDROPTERIDINONES II | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-08-29 | — | — | US | disclosed |
| US-20130225593-A1 | DIHYDROPTERIDINONES II | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-08-29 | — | — | US | disclosed |