⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20933153 | 1.00 | — | — | |
| SCHEMBL20933973 | 0.96 | USP2 (0.31) | — | |
| SCHEMBL20933118 | 0.96 | USP2 (0.31) | — | |
| SCHEMBL20934095 | 0.95 | HCRTR1 (0.31) | — | |
| SCHEMBL20933286 | 0.95 | HCRTR1 (0.31) | — | |
| SCHEMBL20933537 | 0.92 | ADORA2A (0.30) | — | |
| SCHEMBL20933416 | 0.91 | USP2 (0.31) | — | |
| SCHEMBL20933155 | 0.91 | USP2 (0.31) | — | |
| SCHEMBL20933132 | 0.91 | ALOX5 (0.37) | — | |
| SCHEMBL20934222 | 0.90 | HCRTR1 (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-2019078461-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2019-04-25 | — | — | WO | disclosed |