⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7484010 | 0.66 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL7488302 | 0.66 | — | — | |
| SCHEMBL2754289 | 0.63 | MAPT (0.33) | — | |
| SCHEMBL1978353 | 0.60 | — | — | |
| SCHEMBL522515 | 0.55 | — | — | |
| SCHEMBL11030655 | 0.54 | — | — | |
| SCHEMBL324883 | 0.53 | — | — | |
| SCHEMBL24833 | 0.53 | — | — | |
| SCHEMBL9249204 | 0.51 | ALDH1A1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL8814151 | 0.51 | ALDH1A1 (0.33) | — |
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-20040053923-A1 | Novel isoindole derivatives | BANYU PHARMACEUTICAL CO., LTD. | 2004-03-18 | — | — | US | disclosed |