⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13684700 | 0.81 | LMNA (0.42) | — | |
| SCHEMBL15429715 | 0.78 | PIK3CD (0.33) | — | |
| SCHEMBL2708464 | 0.77 | — | — | |
| SCHEMBL16553628 | 0.77 | MEN1 (0.34) | — | |
| SCHEMBL27826097 | 0.73 | — | — | |
| SCHEMBL42956 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL15148198 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL2706044 | 0.71 | — | — | |
| SCHEMBL2706625 | 0.69 | — | — | |
| SCHEMBL10389154 | 0.69 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7750162-B2 | Process for preparation of nonnatural amino acid and intermediate thereof | DAISO CO., LTD. (JP) | 2010-07-06 | — | — | US | disclosed |
| US-20070208180-A1 | Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof | DAISO CO., LTD. (JP) | 2007-09-06 | — | — | US | disclosed |
| EP-1739077-A1 | PROCESS FOR PRODUCTION OF NONNATURAL AMINO ACIDS AND INTERMEDIATES THEREFOR | DAISO CO., LTD. (JP) | 2007-01-03 | — | — | EP | disclosed |