⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20149204 | 0.86 | MAPK14 (0.33) | — | |
| SCHEMBL25693027 | 0.82 | TDP1 (0.33) | — | |
| SCHEMBL134677 | 0.79 | TDP1 (0.35) | — | |
| SCHEMBL22328889 | 0.79 | CYP11B1 (0.41) | — | |
| SCHEMBL22328881 | 0.78 | DPP4 (0.35) | — | |
| SCHEMBL22328864 | 0.77 | MBNL1 (0.33) | — | |
| SCHEMBL23806109 | 0.77 | — | — | |
| SCHEMBL15097046 | 0.76 | ESR1 (0.33) | — | |
| SCHEMBL12021431 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL12239139 | 0.76 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200255358-A1 | ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT | CANON KABUSHIKI KAISHA (JP) | 2020-08-13 | — | — | US | disclosed |