⚠ 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 | |
|---|---|---|---|---|
| Allylamine SCHEMBL7582519 | 0.92 | DNM1 (0.63) | — | |
| Allylamine SCHEMBL28887823 | 0.89 | DNM1 (0.68) | — | |
| Hexane SCHEMBL28274176 | 0.88 | ALDH1A1 (0.60) | — | |
| Pentane SCHEMBL28335286 | 0.88 | — | — | |
| Butylamine SCHEMBL2566078 | 0.85 | — | — | |
| Decane SCHEMBL28387770 | 0.85 | TSHR (0.60) | — | |
| Octane SCHEMBL28417877 | 0.85 | TSHR (0.60) | — | |
| Heptane SCHEMBL28337697 | 0.85 | TSHR (0.60) | — | |
| Dodecane SCHEMBL28891142 | 0.85 | TSHR (0.60) | — | |
| Allylamine SCHEMBL1323859 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6037476-A | Process for making cyclic imides | ALBEMARLE CORPORATION (US) | 2000-03-14 | — | — | US | disclosed |