⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25070324 | 0.94 | ESR1 (0.30) | — | |
| SCHEMBL25070607 | 0.93 | — | — | |
| SCHEMBL25070667 | 0.92 | GCGR (0.31) | — | |
| SCHEMBL25070458 | 0.91 | — | — | |
| SCHEMBL25070517 | 0.90 | — | — | |
| SCHEMBL25070611 | 0.88 | — | — | |
| SCHEMBL25070325 | 0.88 | APP (0.30) | — | |
| SCHEMBL25070457 | 0.87 | — | — | |
| SCHEMBL25070578 | 0.86 | CRHR1 (0.30) | — | |
| SCHEMBL25070579 | 0.85 | ESR1 (0.33) | — |
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 |