⚠ 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 | |
|---|---|---|---|---|
| Butanol SCHEMBL5230624 | 0.82 | — | — | |
| Allylamine SCHEMBL28335351 | 0.80 | ALDH1A1 (0.47) | — | |
| Allylamine SCHEMBL28337637 | 0.80 | ALDH1A1 (0.47) | — | |
| Allylamine SCHEMBL11470587 | 0.80 | — | — | |
| Allylamine SCHEMBL3148073 | 0.80 | ALDH1A1 (0.64) | — | |
| Allylamine SCHEMBL3921566 | 0.79 | — | — | |
| Allylamine SCHEMBL4940875 | 0.78 | — | — | |
| Ethylene SCHEMBL5081601 | 0.78 | TSHR (0.35) | — | |
| Allylamine SCHEMBL28274178 | 0.76 | ALDH1A1 (0.43) | — | |
| Propene SCHEMBL18783170 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023141426-A1 | ALKANOLAMINE-CONTAINING MEMBRANES AND METHODS OF MAKING AND USING THEREOF | OHIO STATE INNOVATION FOUNDATION (US) | 2023-07-27 | — | — | WO | disclosed |