⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6064719 | 0.73 | HRH3 (0.40) | — | |
| Hydrochloric Acid SCHEMBL6549658 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL19466504 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL25955439 | 0.70 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL21578384 | 0.67 | — | — | |
| SCHEMBL134990 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL11607003 | 0.64 | USP2 (0.41) | — | |
| SCHEMBL29105480 | 0.64 | USP2 (0.41) | — | |
| SCHEMBL9694114 | 0.64 | USP2 (0.46) | — | |
| SCHEMBL23104057 | 0.64 | HRH3 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1934182-A1 | N-SUBSTITUTED PYRIDINONE OR PYRIMIDINONE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007044491-A1 | N-SUBSTITUTED PYRIDINONE OR PYRIMIDINONE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-04-19 | — | — | WO | disclosed |