⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21987948 | 0.64 | DRD4 (0.43) | — | |
| SCHEMBL24328585 | 0.58 | DRD4 (0.51) | — | |
| SCHEMBL21030280 | 0.57 | GDA (0.33) | — | |
| SCHEMBL20011085 | 0.56 | GDA (0.32) | — | |
| SCHEMBL31651687 | 0.54 | — | — | |
| SCHEMBL21363443 | 0.54 | SRC (0.38) | — | |
| SCHEMBL17761950 | 0.54 | GDA (0.33) | — | |
| SCHEMBL10104855 | 0.53 | GDA (0.32) | — | |
| SCHEMBL6860784 | 0.52 | GDA (0.31) | — | |
| SCHEMBL14091653 | 0.52 | GDA (0.32) | — |
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-3714888-A1 | COMPOUNDS FOR USE IN THE TREATMENT OF ADCY5-RELATED DYSKINESIA | ASSISTANCE PUBLIQUE - HÔPITAUX DE PARIS (FR) | 2020-09-30 | — | — | EP | disclosed |