⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL694193 | 0.82 | — | — | |
| SCHEMBL8674 | 0.78 | CA2 (0.46) | — | |
| SCHEMBL16950677 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL96297 | 0.76 | — | — | |
| SCHEMBL6541679 | 0.76 | CA1 (0.38) | — | |
| SCHEMBL2138768 | 0.76 | CA2 (0.43) | — | |
| SCHEMBL28251730 | 0.76 | CA2 (0.43) | — | |
| SCHEMBL27494520 | 0.76 | CA2 (0.43) | — | |
| SCHEMBL27879858 | 0.74 | CA2 (0.37) | — | |
| SCHEMBL8764 | 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110642918-B | Diosgenin derivative and preparation method and application thereof | 山东师范大学 | 2021-01-08 | — | — | CN | claimed |
| CN-110642918-A | Diosgenin derivative and preparation method and application thereof | 山东师范大学 | 2020-01-03 | — | — | CN | claimed |
| JP-4397691-B2 | — | — | 2010-01-13 | — | — | JP | claimed |
| US-20080125446-A1 | Purine analogs having HSP90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION | 2008-05-29 | — | — | US | claimed |
| US-7241890-B2 | Purine analogs having HSP90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-07-10 | — | — | US | claimed |
| JP-2005511565-A | — | — | 2005-04-28 | — | — | JP | claimed |
| US-20050049263-A1 | Purine analogs having hsp90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION | 2005-03-03 | — | — | US | claimed |
| EP-1440072-A4 | PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY | CONFORMA THERAPEUTIC CORP (US) | 2005-02-02 | — | — | EP | claimed |
| EP-1440072-A2 | PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY | Conforma Therapeutic Corporation (US) | 2004-07-28 | — | — | EP | claimed |
| US-20030225081-A1 | Pyridazinones and triazinones and medicinal use thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2003-12-04 | — | — | US | claimed |
| EP-1319659-A1 | PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF | Eisai Co., Ltd. (JP) | 2003-06-18 | — | — | EP | claimed |
| WO-2003037860-A2 | PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY | CONFORMA THERAPEUTICS CORPORATION (US) | 2003-05-08 | — | — | WO | claimed |
| CN-110642918-B | Diosgenin derivative and preparation method and application thereof | 山东师范大学 | 2021-01-08 | — | — | CN | disclosed |
| CN-110642918-A | Diosgenin derivative and preparation method and application thereof | 山东师范大学 | 2020-01-03 | — | — | CN | disclosed |
| EP-2900645-B1 | HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2019-08-21 | — | — | EP | disclosed |
| CN-103459439-B | Use the system and method for the water with convertible ionic strength | 金斯顿女王大学 | 2017-09-12 | — | — | CN | disclosed |
| US-20030225081-A1 | Pyridazinones and triazinones and medicinal use thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2003-12-04 | — | — | US | disclosed |
| EP-1319659-A1 | PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF | Eisai Co., Ltd. (JP) | 2003-06-18 | — | — | EP | disclosed |
| US-4879299-A | INOTROPIC, ANTIISCHEMIC, ANTIARRHYTHMIA | KALI-CHEMIE PHARMA GMBH (DE) | 1989-11-07 | — | — | US | disclosed |
| US-4755520-A | Spartein compounds, their preparation and use | KALI-CHEMIE PHARMA GMBH (DE) | 1988-07-05 | — | — | US | disclosed |