⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25070650 | 0.78 | ESR1 (0.33) | — | |
| SCHEMBL12294285 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL25070326 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL14479819 | 0.73 | MEN1 (0.34) | — | |
| SCHEMBL24012400 | 0.72 | ESR1 (0.33) | — | |
| SCHEMBL20806070 | 0.72 | ESR1 (0.37) | — | |
| SCHEMBL25070581 | 0.72 | APP (0.41) | — | |
| SCHEMBL2706397 | 0.72 | STS (0.36) | — | |
| SCHEMBL26500062 | 0.71 | APP (0.46) | — | |
| SCHEMBL14690800 | 0.71 | GPR35 (0.37) | — |
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 |