⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20619215 | 0.91 | PDK2 (0.31) | — | |
| SCHEMBL20619777 | 0.86 | PDK2 (0.31) | — | |
| SCHEMBL24149697 | 0.85 | PRSS1 (0.34) | — | |
| SCHEMBL24149705 | 0.84 | — | — | |
| SCHEMBL24149287 | 0.80 | ALOX5 (0.31) | — | |
| SCHEMBL24150315 | 0.80 | — | — | |
| SCHEMBL22842085 | 0.80 | — | — | |
| SCHEMBL19298696 | 0.77 | PDK2 (0.37) | — | |
| SCHEMBL22842123 | 0.76 | — | — | |
| SCHEMBL24149727 | 0.76 | BCL2L1 (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-2021261856-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2021-12-30 | — | — | WO | disclosed |