⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3041579 | 1.00 | — | — | |
| SCHEMBL27515274 | 0.79 | — | — | |
| SCHEMBL10087881 | 0.77 | — | — | |
| SCHEMBL28138684 | 0.77 | — | — | |
| SCHEMBL15338802 | 0.77 | — | — | |
| SCHEMBL27714278 | 0.77 | HCAR2 (0.40) | — | |
| SCHEMBL19780718 | 0.77 | — | — | |
| SCHEMBL28070843 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL14767817 | 0.75 | HCAR2 (0.46) | — | |
| SCHEMBL14012897 | 0.75 | HCAR2 (0.46) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2213656-B1 | PROCESS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA-HYDROXYESTER COMPOUND | NIPPOH CHEMICALS (JP) | 2017-01-18 | — | — | EP | disclosed |
| US-8471053-B2 | Process and apparatus for production of cyanohydrin compound, and process for production of α-hydroxyester compound | NIPPOH CHEMICALS CO., LTD. (JP) | 2013-06-25 | — | — | US | disclosed |
| US-8263796-B2 | Process for production of cyanohydrin compound, and process for production of α-hydroxyester compound | NIPPOH CHEMICALS CO., LTD. (JP) | 2012-09-11 | — | — | US | disclosed |
| US-20100261929-A1 | PROCESS AND APPARATUS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA-HYDROXYESTER COMPOUND | NIPPOH CHEMICALS CO., LTD. (JP) | 2010-10-14 | — | — | US | disclosed |
| US-20100256409-A1 | PROCESS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA HYDROXYESTER COMPOUND | NIPPOH CHEMICALS CO., LTD. (JP) | 2010-10-07 | — | — | US | disclosed |
| EP-2213657-A1 | PROCESS AND APPARATUS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA -HYDROXYESTER COMPOUND | Nippoh Chemicals Co., Ltd (JP) | 2010-08-04 | — | — | EP | disclosed |
| EP-2213656-A1 | PROCESS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA-HYDROXYESTER COMPOUND | Nippoh Chemicals Co., Ltd (JP) | 2010-08-04 | — | — | EP | disclosed |
| US-7576198-B1 | Integrase inhibitors containing aromatic heterocycle derivatives | SHIONOGI & CO., LTD. (JP) | 2009-08-18 | — | — | US | disclosed |