⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20005136 | 0.69 | SNCA (0.45) | — | |
| SCHEMBL20004356 | 0.50 | — | — | |
| SCHEMBL20448607 | 0.44 | GAA (0.32) | — | |
| SCHEMBL14108965 | 0.41 | MAPT (0.33) | — | |
| SCHEMBL20448738 | 0.41 | GAA (0.31) | — | |
| SCHEMBL10586375 | 0.41 | ALOX15 (0.36) | — | |
| SCHEMBL31332452 | 0.40 | — | — | |
| 1,4-Butanediol SCHEMBL6249116 | 0.40 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL14457221 | 0.40 | — | — | |
| SCHEMBL739304 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2018055316-A1 | COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2018-03-29 | — | — | WO | disclosed |