⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7635325 | 0.61 | — | — | |
| SCHEMBL13880438 | 0.58 | ALDH1A1 (0.35) | — | |
| Carbon Monoxide SCHEMBL11396811 | 0.57 | ALDH1A1 (0.30) | — | |
| SCHEMBL17495194 | 0.57 | — | — | |
| SCHEMBL20734523 | 0.57 | ALDH1A1 (0.39) | — | |
| SCHEMBL4615016 | 0.55 | GABRA1 (0.31) | — | |
| SCHEMBL6686960 | 0.54 | ALDH1A1 (0.31) | — | |
| SCHEMBL3893095 | 0.53 | — | — | |
| SCHEMBL1855089 | 0.53 | MAPT (0.45) | — | |
| SCHEMBL7876766 | 0.53 | MAPT (0.45) | — |
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-5319144-A | Using a mixture of alcohol and water (10-50%) as solvent for the reaction of sulfur and a 2,6-dialkylphenol in the presence of a base; extraction with an n-alkane; sulfur-free | PENNZOIL PRODUCTS COMPANY (US) | 1994-06-07 | — | — | US | disclosed |