⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL568585 | 0.96 | — | — | |
| SCHEMBL28011582 | 0.93 | — | — | |
| Acetic Acid SCHEMBL11342939 | 0.87 | FFAR3 (0.44) | — | |
| SCHEMBL10524317 | 0.84 | TSHR (0.41) | — | |
| Sulfuric Acid SCHEMBL7979664 | 0.84 | TSHR (0.41) | — | |
| Ethaneperoxoic Acid SCHEMBL4778093 | 0.82 | TSHR (0.39) | — | |
| SCHEMBL26928 | 0.69 | — | — | |
| SCHEMBL3271834 | 0.69 | TSHR (0.53) | — | |
| SCHEMBL29750669 | 0.69 | — | — | |
| Methoxyacetic Acid SCHEMBL7632121 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999033539-A1 | WATER PURIFICATION FILTER | THE CLOROX COMPANY (US) | 1999-07-08 | — | — | WO | claimed |
| WO-1999033539-A1 | WATER PURIFICATION FILTER | THE CLOROX COMPANY (US) | 1999-07-08 | — | — | WO | disclosed |