⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27996212 | 0.97 | — | — | |
| SCHEMBL514086 | 0.70 | — | — | |
| SCHEMBL4511167 | 0.70 | — | — | |
| SCHEMBL4510132 | 0.70 | — | — | |
| SCHEMBL826628 | 0.67 | — | — | |
| SCHEMBL4145831 | 0.65 | — | — | |
| SCHEMBL5968992 | 0.64 | — | — | |
| SCHEMBL513894 | 0.64 | — | — | |
| SCHEMBL2394147 | 0.62 | PTPN7 (0.39) | — | |
| SCHEMBL4144825 | 0.61 | PTPN7 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106470677-A | Compositions for the treatment of dermatological diseases and conditions | 绮丽儿·李·艾柏汀 | 2017-03-01 | — | — | CN | disclosed |