⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1736176 | 0.97 | — | — | |
| SCHEMBL27467255 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL5138975 | 0.94 | — | — | |
| Benzene SCHEMBL27354371 | 0.92 | CYP2C19 (0.34) | — | |
| Ether SCHEMBL26667791 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL8642386 | 0.75 | LMNA (0.32) | — | |
| SCHEMBL462149 | 0.74 | LMNA (0.33) | — | |
| SCHEMBL462150 | 0.74 | LMNA (0.33) | — | |
| SCHEMBL7784758 | 0.73 | — | — | |
| Bicarbonate SCHEMBL28615380 | 0.72 | LMNA (0.32) | — |
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 |