⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5743380 | 0.41 | — | — | |
| Water SCHEMBL17063649 | 0.27 | — | — | |
| Water SCHEMBL7172851 | 0.27 | — | — | |
| SCHEMBL31493171 | 0.27 | — | — | |
| Water SCHEMBL3782442 | 0.27 | — | — | |
| Water SCHEMBL7776151 | 0.27 | — | — | |
| Water SCHEMBL7431 | 0.27 | — | — | |
| Water SCHEMBL1679457 | 0.27 | — | — | |
| Water SCHEMBL22871 | 0.27 | — | — | |
| Water SCHEMBL2764964 | 0.27 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1326095-A1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2003-07-09 | — | — | EP | disclosed |