⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24356278 | 0.86 | PLA2G2A (0.31) | — | |
| SCHEMBL24973402 | 0.86 | KDM4E (0.32) | — | |
| SCHEMBL24971325 | 0.86 | PLA2G10 (0.30) | — | |
| SCHEMBL23947667 | 0.85 | CYP1A2 (0.31) | — | |
| SCHEMBL24887351 | 0.85 | PLA2G2A (0.30) | — | |
| SCHEMBL24886873 | 0.84 | — | — | |
| SCHEMBL26406115 | 0.84 | NISCH (0.30) | — | |
| SCHEMBL24887820 | 0.84 | — | — | |
| SCHEMBL25607875 | 0.84 | — | — | |
| SCHEMBL24886615 | 0.84 | CASP3 (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-2021210911-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2021-10-21 | — | — | WO | disclosed |