⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21301435 | 0.73 | — | — | |
| SCHEMBL21301441 | 0.70 | — | — | |
| SCHEMBL22369886 | 0.62 | CHRNB2 (0.32) | — | |
| SCHEMBL21301388 | 0.60 | — | — | |
| SCHEMBL21301427 | 0.60 | — | — | |
| SCHEMBL21301246 | 0.57 | — | — | |
| SCHEMBL25150908 | 0.54 | — | — | |
| SCHEMBL27921507 | 0.54 | HTT (0.39) | — | |
| SCHEMBL18865608 | 0.53 | ADORA3 (0.30) | — | |
| SCHEMBL11967294 | 0.53 | — | — |
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-2020160075-A1 | CHEMICAL COMPOUNDS | AVISTA PHARMA SOLUTIONS, INC. (US) | 2020-08-06 | — | — | WO | disclosed |