⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1709074 | 0.92 | FOLH1 (0.32) | — | |
| SCHEMBL1709079 | 0.85 | PRMT1 (0.33) | — | |
| SCHEMBL1709068 | 0.83 | MEN1 (0.38) | — | |
| SCHEMBL1709067 | 0.81 | PTPN1 (0.39) | — | |
| SCHEMBL1709076 | 0.81 | FOLH1 (0.35) | — | |
| SCHEMBL1709073 | 0.71 | MEN1 (0.42) | — | |
| SCHEMBL1709071 | 0.69 | L3MBTL1 (0.32) | — | |
| SCHEMBL1709066 | 0.68 | PRMT1 (0.42) | — | |
| SCHEMBL13718759 | 0.67 | ADORA3 (0.38) | — | |
| Potassium Ion SCHEMBL29455229 | 0.67 | PTPN1 (0.49) | — |
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-20120088262-A1 | CYANINE COMPOUNDS, CONJUGATES AND METHOD OF USE | MILLIPORE CORPORATION (US) | 2012-04-12 | — | — | US | disclosed |