⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18597445 | 0.68 | — | — | |
| SCHEMBL13073935 | 0.68 | — | — | |
| SCHEMBL13862939 | 0.65 | — | — | |
| SCHEMBL10157906 | 0.64 | CA1 (0.33) | — | |
| SCHEMBL14730591 | 0.62 | — | — | |
| SCHEMBL23822975 | 0.60 | — | — | |
| SCHEMBL13862934 | 0.59 | — | — | |
| SCHEMBL16689076 | 0.59 | CA1 (0.38) | — | |
| SCHEMBL27672482 | 0.59 | CA1 (0.38) | — | |
| SCHEMBL16689074 | 0.59 | CA1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2661428-B1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME (US) | 2017-06-07 | — | — | EP | disclosed |