⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22970547 | 0.82 | DHODH (0.31) | — | |
| SCHEMBL24454360 | 0.80 | TOP1 (0.40) | — | |
| SCHEMBL22970186 | 0.78 | CYP11B1 (0.30) | — | |
| SCHEMBL22970358 | 0.77 | AR (0.31) | — | |
| SCHEMBL22970179 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL23761885 | 0.75 | PARP1 (0.30) | — | |
| SCHEMBL22970237 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL23479278 | 0.75 | — | — | |
| SCHEMBL22970525 | 0.75 | — | — | |
| SCHEMBL23954437 | 0.75 | PARP1 (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-2021025356-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME | 엘티소재주식회사 | 2021-02-11 | — | — | WO | disclosed |