⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16224370 | 0.79 | — | — | |
| SCHEMBL22991849 | 0.75 | — | — | |
| SCHEMBL20109897 | 0.75 | — | — | |
| SCHEMBL20115394 | 0.75 | — | — | |
| SCHEMBL21860315 | 0.70 | — | — | |
| SCHEMBL23851147 | 0.70 | — | — | |
| SCHEMBL23851149 | 0.70 | — | — | |
| SCHEMBL21859950 | 0.70 | MAP3K12 (0.33) | — | |
| SCHEMBL22098495 | 0.70 | MAP3K12 (0.33) | — | |
| SCHEMBL23851145 | 0.70 | — | — |
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-2014177060-A1 | BIHETEROARYL COMPOUNDS AND USES THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2014-11-06 | — | — | WO | disclosed |