⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25465614 | 0.98 | PRKDC (0.31) | — | |
| SCHEMBL25117239 | 0.89 | PTGER4 (0.32) | — | |
| SCHEMBL22421990 | 0.89 | PRKDC (0.36) | — | |
| SCHEMBL25460904 | 0.88 | — | — | |
| SCHEMBL22113254 | 0.88 | PLA2G2A (0.37) | — | |
| SCHEMBL26526201 | 0.87 | — | — | |
| SCHEMBL24231846 | 0.87 | PTGER4 (0.30) | — | |
| SCHEMBL9892616 | 0.85 | PLA2G2A (0.35) | — | |
| SCHEMBL24686575 | 0.85 | PTGER4 (0.31) | — | |
| SCHEMBL19041760 | 0.85 | FAAH (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 |
|---|---|---|---|---|---|---|---|
| US-20230157151-A1 | ORGANIC ELECTROLUMINESCENT APPARATUS | MERCK PATENT GMBH (DE) | 2023-05-18 | — | — | US | disclosed |