⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12572575 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL18868445 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL11594603 | 0.79 | KDM4E (0.39) | — | |
| SCHEMBL11860371 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL27960590 | 0.75 | — | — | |
| SCHEMBL17207269 | 0.74 | — | — | |
| SCHEMBL245810 | 0.73 | — | — | |
| SCHEMBL245809 | 0.73 | — | — | |
| SCHEMBL2619425 | 0.73 | — | — | |
| SCHEMBL11509291 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105814112-B | Surfactant based on aliphatic polycarbonate | 萨索尔化学品(美国)有限责任公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-1935236-B | Quality control method for Chinese medicine injection preparation | BEIJING QIYUAN YIDE INST OF MATERIA MEDICA | 2010-04-21 | — | — | CN | disclosed |
| EP-0247381-B1 | 5-FLUROROURACIL DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-08-04 | — | — | EP | disclosed |
| US-5047521-A | Anticarcinogenic agents | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-09-10 | — | — | US | disclosed |
| EP-0247381-A2 | 5-flurorouracil derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-12-02 | — | — | EP | disclosed |