⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29992419 | 0.78 | — | — | |
| SCHEMBL14838417 | 0.76 | — | — | |
| SCHEMBL6971086 | 0.76 | — | — | |
| SCHEMBL29992639 | 0.74 | — | — | |
| SCHEMBL8716059 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL14828481 | 0.74 | — | — | |
| SCHEMBL1895456 | 0.71 | — | — | |
| SCHEMBL845123 | 0.69 | — | — | |
| SCHEMBL28421570 | 0.69 | — | — | |
| Ether SCHEMBL16047932 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6884821-B1 | Carboxylic acid derivatives and drugs containing the same | EISAI CO., LTD. (JP) | 2005-04-26 | — | — | US | disclosed |
| EP-1216980-A1 | CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME | Eisai Co., Ltd. (JP) | 2002-06-26 | — | — | EP | disclosed |