⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2689709 | 0.83 | CA5A (0.36) | — | |
| SCHEMBL11137402 | 0.77 | — | — | |
| SCHEMBL11523901 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL1314953 | 0.75 | APEX1 (0.36) | — | |
| SCHEMBL9499512 | 0.73 | — | — | |
| SCHEMBL11322528 | 0.73 | — | — | |
| SCHEMBL11147184 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL11141014 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28276099 | 0.71 | — | — | |
| SCHEMBL901982 | 0.71 | — | — |
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 |