⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9185151 | 0.81 | LMNA (0.43) | — | |
| SCHEMBL7665824 | 0.79 | — | — | |
| SCHEMBL455750 | 0.77 | — | — | |
| SCHEMBL20486245 | 0.77 | — | — | |
| SCHEMBL7701042 | 0.77 | — | — | |
| SCHEMBL5851796 | 0.77 | — | — | |
| SCHEMBL3557423 | 0.74 | — | — | |
| SCHEMBL7465411 | 0.74 | CALM1 (0.44) | — | |
| SCHEMBL9322491 | 0.74 | LMNA (0.31) | — | |
| SCHEMBL10534257 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3891150-A1 | SYNERGISTIC COMPOSITIONS COMPRISING-R-2-(SUBSTITUTED-SULFONYL)-HEXAHYDRO-PYRROLO[1,2-A]PYRAZIN-6(2H)-ONES AND S-2-(SUBSTITUTED-SULFONYL)-HEXAHYDRO-PYRROLO[1,2-A]PYRAZIN-6(2H)-ONES IN A NON-RACEMIC RATIO | Metys Pharmaceuticals AG (CH) | 2021-10-13 | — | — | EP | disclosed |
| WO-2020115096-A1 | SYNERGISTIC COMPOSITIONS COMPRISING R-2-(SUBSTITUTED-SULFONYL)-HEXAHYDRO-PYRROLO[1,2-A]PYRAZIN-6(2H)-ONES AND S-2-(SUBSTITUTED-SULFONYL)-HEXAHYDRO-PYRROLO[1,2-A]PYRAZIN-6(2H)-ONES IN A NON-RACEMIC RATIO | Metys Pharmaceuticals AG (CH) | 2020-06-11 | — | — | WO | disclosed |
| EP-0320733-B1 | 2-TERT.-BUTYL-5-ISOXAZOLYL METHYLTHIO-3(2H)-PYRIDAZIN-3-ONE DERIVATIVES | BASF Aktiengesellschaft (DE) | 1993-03-03 | — | — | EP | disclosed |
| US-4929617-A | INSECTICIDES, MITICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1990-05-29 | — | — | US | disclosed |
| US-RE30633-E | DIURETICS | A. CHRISTIAENS SOCIETE ANONYME (BE) | 1981-06-02 | — | — | US | disclosed |