⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12437165 | 1.00 | — | — | |
| SCHEMBL14087432 | 1.00 | — | — | |
| SCHEMBL15021957 | 0.85 | — | — | |
| SCHEMBL573675 | 0.85 | — | — | |
| SCHEMBL12870236 | 0.75 | — | — | |
| SCHEMBL11717306 | 0.74 | — | — | |
| SCHEMBL3620247 | 0.74 | — | — | |
| SCHEMBL3620249 | 0.74 | — | — | |
| SCHEMBL11717299 | 0.74 | — | — | |
| SCHEMBL13620323 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110178143-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2011-07-21 | — | — | US | disclosed |
| US-20110178143-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2011-07-21 | — | — | US | disclosed |