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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9405461 | 0.87 | — | — | |
| Water SCHEMBL9173 | 0.82 | — | — | |
| Water SCHEMBL7788791 | 0.82 | — | — | |
| Water SCHEMBL838881 | 0.82 | — | — | |
| Water SCHEMBL21276 | 0.82 | — | — | |
| Water SCHEMBL8504267 | 0.82 | — | — | |
| Water SCHEMBL4375774 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL11052348 | 0.67 | — | — | |
| SCHEMBL1896107 | 0.67 | — | — | |
| Water SCHEMBL3621734 | 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 |
|---|---|---|---|---|---|---|---|
| JP-2008240109-A | METHOD FOR OPERATING BLAST FURNACE | SUMITOMO METAL IND LTD | 2008-10-09 | — | — | JP | disclosed |