⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15546576 | 0.97 | — | — | |
| SCHEMBL2100821 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL5138978 | 0.94 | — | — | |
| SCHEMBL27467254 | 0.94 | — | — | |
| SCHEMBL190067 | 0.77 | CYP2D6 (1.00) | — | |
| SCHEMBL3134391 | 0.77 | CYP2D6 (1.00) | — | |
| SCHEMBL28168136 | 0.77 | CYP2D6 (1.00) | — | |
| SCHEMBL213024 | 0.77 | CYP2D6 (1.00) | — | |
| SCHEMBL28322476 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL462151 | 0.74 | ALDH1A1 (0.36) | — |
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-2008000680-A1 | FLUOROUS TELOMERIC COMPOUNDS AND POLYMERS CONTAINING SAME | CLARIANT INTERNATIONAL LTD (CH) | 2008-01-03 | — | — | WO | disclosed |