⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16952622 | 0.79 | GABRA1 (0.44) | — | |
| SCHEMBL864779 | 0.77 | — | — | |
| SCHEMBL2811681 | 0.76 | — | — | |
| SCHEMBL16950577 | 0.76 | CTSL (0.35) | — | |
| SCHEMBL283845 | 0.75 | TAAR1 (0.41) | — | |
| SCHEMBL10653799 | 0.74 | HTR2A (0.42) | — | |
| SCHEMBL12927261 | 0.73 | PNMT (0.44) | — | |
| SCHEMBL17450486 | 0.71 | GABRA1 (0.46) | — | |
| SCHEMBL28668675 | 0.71 | TAAR1 (0.37) | — | |
| SCHEMBL13180051 | 0.71 | MPO (0.39) | — |
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-2017178511-A1 | METHOD OF TREATMENT OF PARKINSONISM | FUNDACIÓ CENTRE DE REGULACIÓ GENÒMICA (ES) | 2017-10-19 | — | — | WO | disclosed |