⚠ 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 SCHEMBL21058324 | 0.71 | — | — | |
| Iodine SCHEMBL1163 | 0.71 | — | — | |
| Iodine SCHEMBL5031640 | 0.71 | — | — | |
| Iodine SCHEMBL9450939 | 0.71 | — | — | |
| SCHEMBL3200776 | 0.58 | — | — | |
| SCHEMBL26831 | 0.58 | — | — | |
| Iodomethane SCHEMBL384331 | 0.58 | — | — | |
| Iodomethane SCHEMBL12143615 | 0.58 | — | — | |
| SCHEMBL23528133 | 0.00 | — | — | |
| SCHEMBL23462036 | 0.00 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11285605-A | — | — | None | — | — | JP | disclosed |
| JP-H11285605-A | BATHTUB WATER CLEANING APPARATUS | TOTO LTD | 1999-10-19 | — | — | JP | disclosed |