⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL124813 | 0.96 | — | — | |
| Acetic Acid SCHEMBL4967549 | 0.90 | FFAR3 (0.47) | — | |
| SCHEMBL25442 | 0.76 | — | — | |
| SCHEMBL30477387 | 0.72 | — | — | |
| SCHEMBL2991355 | 0.72 | — | — | |
| SCHEMBL29877272 | 0.72 | — | — | |
| Hydrogen Peroxide SCHEMBL8626398 | 0.72 | ALDH1A1 (0.50) | — | |
| Acetone SCHEMBL226043 | 0.72 | LMNA (0.55) | — | |
| Ethaneperoxoic Acid SCHEMBL134225 | 0.72 | — | — | |
| SCHEMBL29931207 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999033539-A1 | WATER PURIFICATION FILTER | THE CLOROX COMPANY (US) | 1999-07-08 | — | — | WO | claimed |