⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13090778 | 0.74 | — | — | |
| SCHEMBL790116 | 0.72 | — | — | |
| SCHEMBL790117 | 0.72 | — | — | |
| SCHEMBL789263 | 0.72 | — | — | |
| SCHEMBL789262 | 0.72 | — | — | |
| SCHEMBL719549 | 0.72 | — | — | |
| SCHEMBL15296816 | 0.72 | — | — | |
| SCHEMBL6593414 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL13619371 | 0.68 | — | — | |
| SCHEMBL7318106 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012029942-A1 | CYCLIC AMIDE DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2012-03-08 | — | — | WO | disclosed |
| EP-1278737-B1 | PROCESS AND INTERMEDIATES FOR MAKING SUBSTITUTED ASPARTIC ACID ACETALS | VERTEX PHARMA (US) | 2010-06-30 | — | — | EP | disclosed |