⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL290786 | 0.93 | — | — | |
| Boric Acid SCHEMBL29031261 | 0.85 | — | — | |
| SCHEMBL336085 | 0.83 | — | — | |
| Hydrogen Sulfide SCHEMBL15282549 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL28714830 | 0.76 | — | — | |
| SCHEMBL17739984 | 0.75 | DUT (0.39) | — | |
| SCHEMBL821115 | 0.74 | — | — | |
| SCHEMBL4487319 | 0.74 | — | — | |
| SCHEMBL4487307 | 0.74 | — | — | |
| SCHEMBL5604846 | 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 |
|---|---|---|---|---|---|---|---|
| EP-1172823-B1 | Porous materials | SHIPLEY CO LLC (US) | 2007-11-28 | — | — | EP | disclosed |