⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21163706 | 0.82 | CYP3A4 (0.32) | — | |
| SCHEMBL12157452 | 0.79 | HPGD (0.31) | — | |
| SCHEMBL17400248 | 0.78 | HPGD (0.31) | — | |
| SCHEMBL16657754 | 0.75 | — | — | |
| SCHEMBL21906420 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL16660657 | 0.74 | — | — | |
| SCHEMBL12205763 | 0.73 | — | — | |
| SCHEMBL22132660 | 0.72 | — | — | |
| SCHEMBL18405224 | 0.71 | — | — | |
| SCHEMBL23586355 | 0.71 | CYP3A4 (0.37) | — |
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-2019176971-A1 | CHARGE TRANSPORT MATERIAL, COMPOUND, AND ORGANIC LIGHT-EMITTING ELEMENT | 国立大学法人九州大学 | 2019-09-19 | — | — | WO | disclosed |