⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL123788 | 0.97 | — | — | |
| SCHEMBL5350757 | 0.93 | — | — | |
| SCHEMBL4780259 | 0.93 | — | — | |
| Fluoride SCHEMBL27845979 | 0.93 | — | — | |
| Propane SCHEMBL11380010 | 0.93 | TDP1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL17870943 | 0.93 | — | — | |
| Phosphonic Acid SCHEMBL27740166 | 0.83 | MEN1 (0.31) | — | |
| Phosphoric Acid SCHEMBL28822582 | 0.83 | LMNA (0.33) | — | |
| Sulfurous Acid SCHEMBL6447780 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL13262811 | 0.73 | TSHR (0.30) | — |
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-7291687-B1 | Catalyst system for synthesizing rubbery polymers having a high trans microstructure content | THE GOODYEAR TIRE AND RUBBER COMPANY (US) | 2007-11-06 | — | — | US | disclosed |