⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1480708 | 0.65 | — | — | |
| SCHEMBL235816 | 0.60 | — | — | |
| SCHEMBL3788025 | 0.55 | — | — | |
| SCHEMBL525731 | 0.55 | — | — | |
| SCHEMBL15062540 | 0.55 | — | — | |
| SCHEMBL7695201 | 0.52 | — | — | |
| SCHEMBL5228611 | 0.50 | — | — | |
| SCHEMBL61422 | 0.49 | — | — | |
| SCHEMBL6918 | 0.46 | — | — | |
| SCHEMBL2088 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998003497-A9 | COVALENTLY IMMOBILISED FLUOROIONOPHORES FOR OPTICAL ION SENSORS | NOVARTIS AG (CH) | 1999-10-28 | — | — | WO | disclosed |