⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7434809 | 1.00 | — | — | |
| Amantadine SCHEMBL7437943 | 0.86 | EPHX2 (0.39) | — | |
| Amantadine SCHEMBL7430117 | 0.79 | EPHX2 (0.41) | — | |
| SCHEMBL7434213 | 0.76 | TSHR (0.42) | — | |
| Amantadine SCHEMBL7430326 | 0.75 | EPHX2 (0.35) | — | |
| SCHEMBL7435839 | 0.74 | — | — | |
| SCHEMBL7429754 | 0.73 | — | — | |
| SCHEMBL11376033 | 0.70 | — | — | |
| SCHEMBL10081255 | 0.68 | MEN1 (0.42) | — | |
| SCHEMBL846984 | 0.68 | EGLN1 (0.45) | — |
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-0384636-A1 | Pharmaceutically active compounds | FISONS plc (GB) | 1990-08-29 | — | — | EP | claimed |