⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5713423 | 1.00 | — | — | |
| SCHEMBL1825295 | 0.97 | — | — | |
| SCHEMBL11363953 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL7168792 | 0.78 | — | — | |
| SCHEMBL6044936 | 0.78 | — | — | |
| Acetic Acid SCHEMBL5674100 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL1839645 | 0.77 | — | — | |
| SCHEMBL1768269 | 0.76 | — | — | |
| SCHEMBL6265022 | 0.74 | KDM4E (0.42) | — | |
| SCHEMBL1260188 | 0.74 | — | — |
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-4171225-A | HYDROXYMETHYL AMINO ALKYLCARBOXYLIC OR -SULFONIC ACID ALKALI SALTS AS STABLE REDUCING AGENTS | U.S. PHILIPS CORPORATION (US) | 1979-10-16 | — | — | US | disclosed |