⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28533870 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7190313 | 0.76 | — | — | |
| SCHEMBL28712721 | 0.73 | — | — | |
| SCHEMBL19014279 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL4197781 | 0.70 | — | — | |
| SCHEMBL449043 | 0.67 | — | — | |
| SCHEMBL525718 | 0.67 | — | — | |
| SCHEMBL15732578 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL3693819 | 0.65 | — | — | |
| SCHEMBL21356236 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153839-B2 | Method for synthesis of keto acids or amino acids by hydration of acetylene compound | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2012-04-10 | — | — | US | disclosed |
| 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 |