⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL514428 | 0.76 | — | — | |
| SCHEMBL16363530 | 0.75 | TDP1 (0.33) | — | |
| SCHEMBL777881 | 0.75 | TDP1 (0.33) | — | |
| SCHEMBL7315187 | 0.74 | — | — | |
| SCHEMBL12697242 | 0.73 | ACHE (0.40) | — | |
| SCHEMBL16174513 | 0.73 | ACHE (0.40) | — | |
| SCHEMBL8933211 | 0.72 | — | — | |
| SCHEMBL196119 | 0.72 | — | — | |
| SCHEMBL12356898 | 0.71 | TYR (0.38) | — | |
| SCHEMBL20223483 | 0.71 | MEN1 (0.38) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9682938-B2 | Pyrazolone derivatives as nitroxyl donors | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2017-06-20 | — | — | US | disclosed |
| US-20150344437-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | THE JOHNS HOPKINS UNIVERSITY | 2015-12-03 | — | — | US | disclosed |
| US-20050256159-A1 | 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors | ASTRAZENECA AB (SE) | 2005-11-17 | — | — | US | disclosed |
| EP-1556349-A1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS | Astrazeneca AB (SE) | 2005-07-27 | — | — | EP | disclosed |
| EP-1130017-B1 | Azole derivatives and their use as superoxide radical inhibitors | OTSUKA PHARMA CO LTD (JP) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004033427-A1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS | ASTRAZENECA AB (SE) | 2004-04-22 | — | — | WO | disclosed |
| EP-0934937-B1 | Azole derivatives as superoxide radical inhibitor | OTSUKA PHARMA CO LTD (JP) | 2002-02-27 | — | — | EP | disclosed |
| US-RE37556-E1 | (ALKOXYPHENYL)THIAZOLE DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2002-02-19 | — | — | US | disclosed |
| EP-1130017-A2 | Azole derivatives and their use as superoxide radical inhibitors | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2001-09-05 | — | — | EP | disclosed |
| US-6080764-A | PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2000-06-27 | — | — | US | disclosed |
| EP-0934937-A1 | Azole derivatives as superoxide radical inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1999-08-11 | — | — | EP | disclosed |
| US-5677319-A | THIAZOLE DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-10-14 | — | — | US | disclosed |
| US-5643932-A | PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-07-01 | — | — | US | disclosed |
| EP-0513387-A1 | ACTIVE OXYGEN INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-11-19 | — | — | EP | disclosed |