⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12447700 | 0.68 | MAPK14 (0.35) | — | |
| SCHEMBL12447705 | 0.67 | PTGS1 (0.31) | — | |
| SCHEMBL18499865 | 0.53 | — | — | |
| SCHEMBL18499866 | 0.52 | NOTUM (0.31) | — | |
| SCHEMBL4197265 | 0.50 | NOTUM (0.37) | — | |
| SCHEMBL18499845 | 0.49 | MAPK14 (0.32) | — | |
| SCHEMBL12711544 | 0.48 | MAPK14 (0.33) | — | |
| SCHEMBL626293 | 0.48 | — | — | |
| SCHEMBL12447703 | 0.48 | — | — | |
| SCHEMBL12711549 | 0.46 | — | — |
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-2011098495-A1 | METHOD OF MAKING COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING | GEORGIA TECH RESEARCH CORPORATION (US) | 2011-08-18 | — | — | WO | disclosed |