⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7157752 | 1.00 | — | — | |
| SCHEMBL119259 | 0.96 | — | — | |
| SCHEMBL30099 | 0.96 | — | — | |
| SCHEMBL19007 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL7254486 | 0.93 | — | — | |
| Butane SCHEMBL9713115 | 0.93 | TSHR (0.37) | — | |
| SCHEMBL11702499 | 0.93 | — | — | |
| Hydrogen Sulfide SCHEMBL15658467 | 0.93 | — | — | |
| SCHEMBL17923341 | 0.93 | TSHR (0.37) | — | |
| SCHEMBL17923344 | 0.93 | TSHR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003059959-A1 | MODIFIERS FOR IMPROVED OLEFIN POLYMERIZATION WITH ACTIVATED NEUTRAL ALUMINUM COMPOUNDS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2003-07-24 | — | — | WO | disclosed |