⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL486467 | 0.69 | — | — | |
| SCHEMBL10070243 | 0.67 | — | — | |
| SCHEMBL13954375 | 0.67 | — | — | |
| Iodide SCHEMBL3791317 | 0.67 | — | — | |
| SCHEMBL15436306 | 0.67 | — | — | |
| Water SCHEMBL7594635 | 0.67 | — | — | |
| SCHEMBL19928170 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL8737200 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL23204987 | 0.60 | WDR5 (0.32) | — | |
| SCHEMBL24663000 | 0.60 | KDM4E (0.40) | — |
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-2307381-B1 | NEW DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES | UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) | 2021-01-13 | — | — | EP | disclosed |