⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8911244 | 1.00 | — | — | |
| SCHEMBL7286550 | 1.00 | — | — | |
| SCHEMBL30298025 | 0.84 | ALDH1A1 (0.52) | — | |
| SCHEMBL7756518 | 0.80 | — | — | |
| SCHEMBL3300260 | 0.78 | — | — | |
| SCHEMBL11539104 | 0.78 | — | — | |
| SCHEMBL172611 | 0.78 | — | — | |
| SCHEMBL14416288 | 0.78 | — | — | |
| SCHEMBL19147767 | 0.78 | — | — | |
| SCHEMBL5725283 | 0.78 | — | — |
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-0446097-A1 | Substituted etylamines, process for their preparation, their use as therapeutic agents and intermediates for their synthesis | JOUVEINAL S.A. (FR) | 1991-09-11 | — | — | EP | disclosed |