⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL63193 | 0.82 | ALDH1A1 (0.59) | — | |
| SCHEMBL28007784 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL28108949 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL28089288 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL28321856 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL27957637 | 0.78 | ALDH1A1 (0.48) | — | |
| SCHEMBL16955688 | 0.77 | NQO1 (0.42) | — | |
| SCHEMBL16961743 | 0.76 | — | — | |
| SCHEMBL16960565 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL17046308 | 0.74 | KMT2A (0.39) | — |
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 12 patents. 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 |
| 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 |
| US-9585392-B2 | 3-phenylisoxazolin derivatives with herbicidal action | BAYER CROPSCIENCE AG (DE) | 2017-03-07 | — | — | US | disclosed |
| US-20150245615-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | BAYER CROPSCIENCE AG (DE) | 2015-09-03 | — | — | US | disclosed |
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| CN-101909658-A | Application and preparation method of novel compound with affinity to amyloid | NIHON MEDIPHYSICS CO LTD | 2010-12-08 | — | — | CN | disclosed |
| CN-1114834-A | antidiabetic agent | OTSUKA PHARMA CO LTD (JP) | 1996-01-10 | — | — | CN | disclosed |
| EP-0670831-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-09-13 | — | — | EP | disclosed |
| WO-1995009159-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-04-06 | — | — | WO | disclosed |