⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20053950 | 0.70 | — | — | |
| SCHEMBL16801946 | 0.68 | — | — | |
| SCHEMBL5331751 | 0.68 | — | — | |
| SCHEMBL28938906 | 0.64 | — | — | |
| SCHEMBL2043427 | 0.54 | — | — | |
| SCHEMBL23771253 | 0.53 | — | — | |
| SCHEMBL8416186 | 0.53 | — | — | |
| SCHEMBL6030605 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL9726093 | 0.53 | — | — | |
| SCHEMBL2040916 | 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-2007015877-A2 | INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS | KALYPSYS, INC. (US) | 2007-02-08 | — | — | WO | disclosed |