⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35335 | 0.85 | TSHR (0.53) | — | |
| Methyl Alcohol SCHEMBL28861340 | 0.82 | TSHR (0.50) | — | |
| SCHEMBL30500531 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL21549814 | 0.81 | TSHR (0.43) | — | |
| Bicarbonate SCHEMBL28884083 | 0.80 | TSHR (0.48) | — | |
| Fluoromethane SCHEMBL21811409 | 0.80 | TSHR (0.48) | — | |
| SCHEMBL4814879 | 0.80 | TSHR (0.48) | — | |
| SCHEMBL93666 | 0.80 | TSHR (0.48) | — | |
| SCHEMBL36670 | 0.78 | TSHR (0.59) | — | |
| Benzene SCHEMBL9743489 | 0.78 | TSHR (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009103780-A1 | PROCESS FOR PREPARING HYDROPEROXIDIZED ELASTOMERS AND THEIR USE IN HIGH IMPACT MONOVINYLAROMATIC POLYMERS | TOTAL PETROCHEMICALS FRANCE (FR) | 2009-08-27 | — | — | WO | disclosed |
| EP-2093238-A1 | Process for preparing hydroperoxidized elastomers and their use in high impact monovinylaromatic polymers | Total Petrochemicals France (FR) | 2009-08-26 | — | — | EP | disclosed |