⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11119288 | 0.84 | — | — | |
| SCHEMBL28898202 | 0.84 | — | — | |
| SCHEMBL11584695 | 0.76 | GAA (0.33) | — | |
| SCHEMBL19264995 | 0.73 | — | — | |
| SCHEMBL8438478 | 0.73 | — | — | |
| SCHEMBL31181343 | 0.73 | — | — | |
| SCHEMBL28176113 | 0.73 | — | — | |
| SCHEMBL38654294 | 0.72 | — | — | |
| SCHEMBL11749331 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL29389386 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112930338-A | Process for the preparation of amino acid derivatives | 株式会社API | 2021-06-08 | — | — | CN | disclosed |
| EP-0542485-B1 | Radiation curable compositions | DOW CORNING (GB) | 1997-06-11 | — | — | EP | disclosed |
| EP-0542485-A1 | Radiation curable compositions | Dow Corning Limited (GB) | 1993-05-19 | — | — | EP | disclosed |