⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2361687 | 0.80 | HAO1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL5089743 | 0.78 | — | — | |
| SCHEMBL28948951 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL11524214 | 0.77 | — | — | |
| SCHEMBL7370091 | 0.74 | — | — | |
| SCHEMBL28948957 | 0.74 | — | — | |
| Water SCHEMBL27673319 | 0.73 | — | — | |
| Chloroform SCHEMBL7534512 | 0.72 | — | — | |
| Methylene Chloride SCHEMBL27480080 | 0.72 | — | — | |
| SCHEMBL27749392 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107207700-A | Method for synthesizing polyoxazolidone compound with high stability | 科思创德国股份有限公司 | 2017-09-26 | — | — | CN | claimed |
| EP-2593425-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE | Agios Pharmaceuticals, Inc. (US) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012009678-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2012-01-19 | — | — | WO | disclosed |
| US-4556651-A | Secalonic acid derivatives as antitumor agents | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1985-12-03 | — | — | US | disclosed |
| EP-0064199-B1 | NOVEL SECALONIC ACID DERIVATIVES AND METHOD FOR PREPARING THEREOF | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1985-08-21 | — | — | EP | disclosed |
| US-4418061-A | ANTITUMOR AGENTS | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1983-11-29 | — | — | US | disclosed |
| EP-0064199-A1 | Novel secalonic acid derivatives and method for preparing thereof | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1982-11-10 | — | — | EP | disclosed |