⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10520073 | 0.78 | — | — | |
| SCHEMBL10520077 | 0.78 | — | — | |
| SCHEMBL11496508 | 0.75 | — | — | |
| SCHEMBL29842049 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL1444040 | 0.72 | — | — | |
| SCHEMBL7454571 | 0.70 | MAPT (0.44) | — | |
| SCHEMBL7454578 | 0.70 | MAPT (0.44) | — | |
| Propane SCHEMBL28811886 | 0.70 | FAAH (0.36) | — | |
| SCHEMBL11368200 | 0.67 | ALDH1A1 (0.45) | — | |
| SCHEMBL11351129 | 0.67 | MAPT (0.49) | — |
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-2014086478-A1 | INHIBITORS OF MALT1 PROTEASE | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2014-06-12 | — | — | WO | disclosed |