⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19502221 | 0.66 | MAOA (0.39) | — | |
| SCHEMBL30152053 | 0.66 | MAOA (0.39) | — | |
| SCHEMBL19937653 | 0.66 | TDO2 (0.38) | — | |
| SCHEMBL17253016 | 0.65 | — | — | |
| SCHEMBL29120979 | 0.60 | KDM1A (0.32) | — | |
| SCHEMBL23254101 | 0.59 | — | — | |
| SCHEMBL24223086 | 0.59 | — | — | |
| SCHEMBL22193178 | 0.59 | KDM4E (0.33) | — | |
| SCHEMBL25057519 | 0.59 | MAOB (0.41) | — | |
| SCHEMBL18819919 | 0.59 | MAOB (0.44) | — |
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-3140302-B1 | MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES | MERCK PATENT GMBH (DE) | 2019-08-21 | — | — | EP | disclosed |