⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20347495 | 0.58 | — | — | |
| SCHEMBL3413343 | 0.53 | CDC25A (0.37) | — | |
| SCHEMBL25205117 | 0.51 | — | — | |
| SCHEMBL31320700 | 0.48 | — | — | |
| SCHEMBL7528242 | 0.44 | — | — | |
| SCHEMBL2308676 | 0.44 | ALDH1A1 (0.30) | — | |
| SCHEMBL1054535 | 0.42 | — | — | |
| SCHEMBL30504 | 0.41 | — | — | |
| SCHEMBL2597609 | 0.41 | — | — | |
| SCHEMBL11294001 | 0.41 | — | — |
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-20090216044-A1 | METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2009-08-27 | — | — | US | disclosed |
| EP-1932824-A1 | METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND | Japan Science and Technology Agency (JP) | 2008-06-18 | — | — | EP | disclosed |