⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2274926 | 0.86 | — | — | |
| SCHEMBL2273347 | 0.72 | — | — | |
| SCHEMBL13560132 | 0.70 | — | — | |
| SCHEMBL12371234 | 0.69 | POLB (0.43) | — | |
| SCHEMBL178545 | 0.65 | — | — | |
| SCHEMBL84792 | 0.65 | — | — | |
| SCHEMBL26011209 | 0.65 | — | — | |
| SCHEMBL1086946 | 0.65 | — | — | |
| SCHEMBL2038802 | 0.65 | — | — | |
| SCHEMBL30917693 | 0.65 | — | — |
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-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |