⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1488156 | 0.74 | — | — | |
| SCHEMBL16447617 | 0.70 | ALDH1A1 (0.64) | — | |
| SCHEMBL3279752 | 0.69 | KDM4E (0.41) | — | |
| SCHEMBL147208 | 0.69 | — | — | |
| SCHEMBL7596335 | 0.67 | — | — | |
| SCHEMBL324399 | 0.67 | — | — | |
| SCHEMBL4562991 | 0.67 | — | — | |
| SCHEMBL9195964 | 0.67 | — | — | |
| SCHEMBL8112989 | 0.67 | — | — | |
| SCHEMBL22064861 | 0.67 | — | — |
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 155 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115160269-A | Arylcarboxamide derivatives as positive allosteric modulators of NMDAR | 北京大学 | 2022-10-11 | — | — | CN | claimed |
| US-10647687-B2 | Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death | HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) | 2020-05-12 | — | — | US | claimed |
| US-20180362475-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) | 2018-12-20 | — | — | US | claimed |
| US-9949955-B2 | Triazolone compounds as mPGES-1 inhibitors | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-04-24 | — | — | US | claimed |
| EP-3217982-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2017-09-20 | — | — | EP | claimed |
| US-20160362427-A1 | BRIDGED BICYCLIC KALLIKREIN INHIBITORS | GLOBAL BLOOD THERAPEUTICS, INC. | 2016-12-15 | — | — | US | claimed |
| US-20160339000-A1 | TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS | Ichnos Sciences SA (CH) | 2016-11-24 | — | — | US | claimed |
| US-9439890-B2 | Triazolone compounds as mPGES-1 inhibitors | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-09-13 | — | — | US | claimed |
| WO-2016075137-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2016-05-19 | — | — | WO | claimed |
| EP-2718284-B1 | TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS | GLENMARK PHARMACEUTICALS SA (CH) | 2015-11-18 | — | — | EP | claimed |
| WO-2007066102-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-06-14 | — | — | WO | claimed |
| WO-2007066103-A1 | PYRIMIDINE DERIVATIVES AS CLASS I PI3K INHIBITOR | ASTRAZENECA AB (SE) | 2007-06-14 | — | — | WO | claimed |
| EP-1778681-A1 | 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | AstraZeneca AB (SE) | 2007-05-02 | — | — | EP | claimed |
| EP-1773824-A1 | 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | AstraZeneca AB (SE) | 2007-04-18 | — | — | EP | claimed |
| EP-1768978-A1 | 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | AstraZeneca AB (SE) | 2007-04-04 | — | — | EP | claimed |
| WO-2006005918-A1 | 2, 4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2006-01-19 | — | — | WO | claimed |
| WO-2006005915-A1 | 2, 4, 6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2006-01-19 | — | — | WO | claimed |
| WO-2006005914-A1 | 2, 4, 6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2006-01-19 | — | — | WO | claimed |
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | claimed |
| EP-1104763-A1 | NAPHTHYRIDINE DERIVATIVES | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2001-06-06 | — | — | EP | claimed |