⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL96357 | 0.94 | — | — | |
| Diethanolamine SCHEMBL3675531 | 0.94 | PAOX (0.42) | — | |
| Water SCHEMBL8212968 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL27774021 | 0.91 | — | — | |
| SCHEMBL16343269 | 0.91 | PAOX (0.41) | — | |
| Iodide SCHEMBL10379496 | 0.91 | — | — | |
| Bromide SCHEMBL29106634 | 0.91 | — | — | |
| Dimethylamine SCHEMBL27698259 | 0.88 | PAOX (0.39) | — | |
| Alcohol SCHEMBL11581601 | 0.88 | PAOX (0.39) | — | |
| Alcohol SCHEMBL11565321 | 0.88 | PAOX (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268714-B1 | FUEL ADDITIVES | HUNTSMAN SPEC CHEM CORP (US) | 2006-05-31 | — | — | EP | disclosed |
| EP-1268714-A1 | FUEL ADDITIVES | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001059035-A1 | FUEL ADDITIVES | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2001-08-16 | — | — | WO | disclosed |
| US-6210452-B1 | Fuel additives | HHNTSMAN PETROCHEMICAL CORPORATION | 2001-04-03 | — | — | US | disclosed |