⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22970527 | 0.90 | — | — | |
| SCHEMBL22970554 | 0.88 | — | — | |
| SCHEMBL22970178 | 0.86 | — | — | |
| SCHEMBL22970517 | 0.85 | — | — | |
| SCHEMBL22970420 | 0.84 | — | — | |
| SCHEMBL22970240 | 0.83 | — | — | |
| SCHEMBL22970230 | 0.83 | — | — | |
| SCHEMBL22970598 | 0.83 | HPGDS (0.34) | — | |
| SCHEMBL22970341 | 0.82 | KDM4E (0.35) | — | |
| SCHEMBL22970547 | 0.82 | DHODH (0.31) | — |
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-2021025356-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME | 엘티소재주식회사 | 2021-02-11 | — | — | WO | disclosed |