⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL29481421 | 0.85 | — | — | |
| SCHEMBL5913713 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL15038796 | 0.76 | CA1 (0.31) | — | |
| SCHEMBL28371972 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL15533078 | 0.74 | — | — | |
| SCHEMBL5932112 | 0.70 | CA1 (0.37) | — | |
| Sulfuric Acid SCHEMBL28168720 | 0.70 | TP53 (0.32) | — | |
| SCHEMBL14972687 | 0.67 | — | — | |
| SCHEMBL329520 | 0.67 | — | — | |
| SCHEMBL11021800 | 0.67 | SLC22A6 (0.34) | — |
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-20060049052-A1 | Ampholytic buffer having high buffering capacity and high conductivity in isoelectric form | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2006-03-09 | — | — | US | disclosed |