⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25070591 | 0.98 | — | — | |
| SCHEMBL25070472 | 0.92 | — | — | |
| SCHEMBL25070332 | 0.89 | — | — | |
| SCHEMBL25070683 | 0.87 | — | — | |
| SCHEMBL25070318 | 0.85 | — | — | |
| SCHEMBL25070327 | 0.83 | — | — | |
| SCHEMBL25070464 | 0.82 | APP (0.36) | — | |
| SCHEMBL25070497 | 0.81 | APP (0.32) | — | |
| SCHEMBL25070521 | 0.80 | ALOX5AP (0.32) | — | |
| SCHEMBL25070460 | 0.79 | ALOX5AP (0.32) | — |
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-20230053362-A1 | DICHROIC DYE COMPOSITION | MERCK PATENT GMBH (DE) | 2023-02-23 | — | — | US | disclosed |