⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25070590 | 0.83 | — | — | |
| SCHEMBL25070546 | 0.83 | — | — | |
| SCHEMBL25070553 | 0.80 | XDH (0.33) | — | |
| SCHEMBL17807476 | 0.75 | — | — | |
| SCHEMBL25070519 | 0.73 | PIK3CD (0.31) | — | |
| SCHEMBL25070315 | 0.71 | ESR1 (0.38) | — | |
| SCHEMBL16546098 | 0.71 | — | — | |
| SCHEMBL19038360 | 0.71 | — | — | |
| SCHEMBL15625416 | 0.69 | PGR (0.32) | — | |
| SCHEMBL23046999 | 0.69 | ESR1 (0.35) | — |
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 |