⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28219797 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL1161005 | 0.68 | — | — | |
| SCHEMBL29683214 | 0.65 | BCHE (0.43) | — | |
| SCHEMBL30206042 | 0.65 | — | — | |
| SCHEMBL14490257 | 0.65 | CYP2A6 (0.43) | — | |
| SCHEMBL77918 | 0.61 | MAPT (0.48) | — | |
| SCHEMBL4220909 | 0.61 | CYP3A4 (0.35) | — | |
| SCHEMBL31133078 | 0.61 | USP19 (0.37) | — | |
| SCHEMBL21527215 | 0.61 | MAPT (0.56) | — | |
| SCHEMBL13541944 | 0.60 | KDM5A (0.32) | — |
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-20070099927-A1 | Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors | SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) | 2007-05-03 | — | — | US | disclosed |
| WO-2005040137-A1 | AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS | SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) | 2005-05-06 | — | — | WO | disclosed |
| EP-1526131-A1 | Aminoalkyl-pyrazinones and -pyridones as thrombin inhibitors | Graffinity Pharmaceuticals Aktiengesellschaft (DE) | 2005-04-27 | — | — | EP | disclosed |