Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL7639078 | 0.82 | — | — | |
| Water SCHEMBL9173 | 0.82 | — | — | |
| Water SCHEMBL7788791 | 0.82 | — | — | |
| Water SCHEMBL345394 | 0.82 | — | — | |
| Water SCHEMBL4375774 | 0.82 | — | — | |
| Water SCHEMBL9628806 | 0.67 | — | — | |
| Water SCHEMBL9111730 | 0.67 | — | — | |
| Water SCHEMBL3015589 | 0.67 | — | — | |
| Water SCHEMBL8085855 | 0.67 | — | — | |
| Water SCHEMBL2502848 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100094039-A1 | PROCESS FOR PREPARING DIARYL CARBONATES | BAYER MATERIALSCIENCE AG (DE) | 2010-04-15 | — | — | US | disclosed |