⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13803241 | 0.85 | KDM4E (0.35) | — | |
| SCHEMBL17081287 | 0.84 | PTGES (0.31) | — | |
| SCHEMBL13968544 | 0.84 | TSPO (0.31) | — | |
| SCHEMBL14755976 | 0.84 | TSPO (0.31) | — | |
| SCHEMBL10040784 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL10040780 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL16864267 | 0.82 | TSPO (0.35) | — | |
| SCHEMBL16206346 | 0.82 | TSPO (0.36) | — | |
| SCHEMBL9916481 | 0.82 | TSPO (0.36) | — | |
| SCHEMBL13803234 | 0.82 | KDM4E (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3114102-B1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2017-12-06 | — | — | EP | disclosed |