⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL180344 | 0.87 | — | — | |
| SCHEMBL17029401 | 0.87 | — | — | |
| SCHEMBL21689948 | 0.87 | — | — | |
| Water SCHEMBL11414438 | 0.85 | — | — | |
| SCHEMBL28862116 | 0.85 | — | — | |
| SCHEMBL28785741 | 0.85 | — | — | |
| Methane SCHEMBL28893836 | 0.85 | — | — | |
| Ethylene SCHEMBL3909096 | 0.83 | — | — | |
| Methyl Alcohol SCHEMBL28789249 | 0.83 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL9485430 | 0.77 | SMN1; SMN2 (0.31) | — |
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-2012110833-A2 | FLUORESCENCE MODULATORS | ALMAC SCIENCES (SCOTLAND) LIMITED (GB) | 2012-08-23 | — | — | WO | disclosed |