⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6408327 | 0.81 | SLC6A2 (0.35) | — | |
| SCHEMBL8965920 | 0.78 | — | — | |
| SCHEMBL4027358 | 0.75 | — | — | |
| SCHEMBL14139353 | 0.73 | — | — | |
| SCHEMBL10697164 | 0.73 | — | — | |
| SCHEMBL27814842 | 0.73 | — | — | |
| SCHEMBL3818633 | 0.73 | — | — | |
| SCHEMBL19512652 | 0.72 | SOS1 (0.31) | — | |
| SCHEMBL27778573 | 0.72 | — | — | |
| SCHEMBL22778612 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050014773-A1 | Therapeutic use | ASTRAZENACA AB (SE) | 2005-01-20 | — | — | US | disclosed |