⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26999467 | 0.94 | — | — | |
| SCHEMBL26999468 | 0.94 | — | — | |
| SCHEMBL8022118 | 0.94 | — | — | |
| SCHEMBL5341356 | 0.92 | TP53 (0.41) | — | |
| SCHEMBL3365824 | 0.92 | TP53 (0.41) | — | |
| Cyclopropylcarboxaldehyde SCHEMBL367544 | 0.88 | — | — | |
| SCHEMBL28228367 | 0.75 | CPN1 (0.42) | — | |
| SCHEMBL5548835 | 0.72 | — | — | |
| SCHEMBL2709328 | 0.72 | TP53 (0.39) | — | |
| SCHEMBL12505889 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0711836-B1 | Method of producing optically active alpha-hydroxy acid or alpha-hydroxyamide | MITSUBISHI RAYON CO (JP) | 2000-02-02 | — | — | EP | disclosed |
| US-5736385-A | NITRILASE OR NITRILE HYDRATASE HYDROLYSIS OF A CYANOHYDRIN WHILE AUTOMATICALLY CONTROLLING CYANOHYDRIN CONCENTRATION | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1998-04-07 | — | — | US | disclosed |
| EP-0711836-A1 | Method of producing optically active alpha-hydroxy acid or alpha-hydroxyamide | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1996-05-15 | — | — | EP | disclosed |