⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL547260 | 0.79 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL547259 | 0.79 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL547261 | 0.79 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL31409460 | 0.79 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL4859012 | 0.78 | ACHE (0.61) | — | |
| SCHEMBL11207030 | 0.77 | ACHE (0.44) | — | |
| SCHEMBL22394534 | 0.75 | — | — | |
| SCHEMBL27881140 | 0.72 | KDM4E (0.57) | — | |
| SCHEMBL11686997 | 0.71 | MTNR1A (0.54) | — | |
| SCHEMBL28235108 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0091437-A1 | THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES III, PROCESSES FOR PREPARATION AND PHARMACEUTICAL PREPARATIONS FOR SUCH COMPOUNDS | Arvidsson, Folke Lars-Erik (SE) | 1983-10-19 | — | — | EP | disclosed |
| WO-1982004042-A1 | THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES III,PROCESSES FOR PREPARATION AND PHARMACEUTICAL PREPARATIONS FOR SUCH COMPOUNDS | ARVIDSSON FOLKE LARS ERIK | 1982-11-25 | — | — | WO | disclosed |