⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20860643 | 0.55 | NOTUM (0.33) | — | |
| SCHEMBL20860719 | 0.54 | TPMT (0.30) | — | |
| SCHEMBL69773 | 0.52 | NOTUM (0.44) | — | |
| Bicarbonate SCHEMBL30309268 | 0.49 | CA1 (0.39) | — | |
| Pyromellitic Acid SCHEMBL22418968 | 0.48 | ALDH1A1 (0.50) | — | |
| Terephthalic Acid SCHEMBL23071346 | 0.44 | TSHR (0.75) | — | |
| Terephthalic Acid SCHEMBL23069370 | 0.44 | TSHR (0.75) | — | |
| SCHEMBL829193 | 0.43 | NOTUM (0.42) | — | |
| SCHEMBL207579 | 0.43 | NOTUM (0.42) | — | |
| SCHEMBL842692 | 0.43 | NOTUM (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3033335-B1 | PYRIDINONES | BOEHRINGER INGELHEIM INT (DE) | 2020-04-15 | — | — | EP | disclosed |
| US-9296748-B2 | Pyridinones | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-03-29 | — | — | US | disclosed |
| US-20150246919-A1 | PYRIDINONES | BOEHRINGER INGELHEIM INT (DE) | 2015-09-03 | — | — | US | disclosed |
| US-20150051208-A1 | PYRIDINONES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-19 | — | — | US | disclosed |