⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2465445 | 0.85 | — | — | |
| Allylamine SCHEMBL371327 | 0.81 | — | — | |
| SCHEMBL16933 | 0.80 | — | — | |
| SCHEMBL17028873 | 0.80 | TSHR (0.58) | — | |
| SCHEMBL1101144 | 0.79 | CA1 (0.34) | — | |
| Vinyl Ether SCHEMBL272382 | 0.78 | ALDH1A1 (0.35) | — | |
| Allylamine SCHEMBL28494016 | 0.78 | — | — | |
| Allylamine SCHEMBL29005989 | 0.78 | ALDH1A1 (0.64) | — | |
| Ammonia Solution, Strong SCHEMBL8368397 | 0.77 | — | — | |
| SCHEMBL11561593 | 0.77 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1452550-A1 | CURABLE COMPOSITION | KANEKA CORPORATION (JP) | 2004-09-01 | — | — | EP | disclosed |