⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17974803 | 0.76 | — | — | |
| SCHEMBL5084323 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL1789363 | 0.73 | — | — | |
| SCHEMBL897730 | 0.73 | — | — | |
| SCHEMBL3101181 | 0.69 | — | — | |
| SCHEMBL18006217 | 0.69 | — | — | |
| SCHEMBL1791118 | 0.69 | — | — | |
| SCHEMBL2105271 | 0.67 | — | — | |
| SCHEMBL2105633 | 0.67 | — | — | |
| SCHEMBL2103181 | 0.67 | — | — |
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-2007059610-A1 | 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2007-05-31 | — | — | WO | disclosed |