⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6847419 | 0.91 | — | — | |
| SCHEMBL456446 | 0.91 | — | — | |
| SCHEMBL28651859 | 0.91 | — | — | |
| SCHEMBL28326600 | 0.87 | — | — | |
| SCHEMBL23573884 | 0.83 | — | — | |
| SCHEMBL29211694 | 0.83 | — | — | |
| SCHEMBL8655274 | 0.83 | — | — | |
| SCHEMBL457093 | 0.83 | — | — | |
| SCHEMBL22382697 | 0.83 | — | — | |
| SCHEMBL454029 | 0.83 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080161185-A1 | Catalyst for Hydration of Vegetable Oils, Fats and Fatty Acids | KHABIBULLIN FARKHAT K | 2008-07-03 | — | — | US | claimed |
| US-20080161185-A1 | Catalyst for Hydration of Vegetable Oils, Fats and Fatty Acids | KHABIBULLIN FARKHAT K | 2008-07-03 | — | — | US | disclosed |
| US-20080161185-A1 | Catalyst for Hydration of Vegetable Oils, Fats and Fatty Acids | KHABIBULLIN FARKHAT K | 2008-07-03 | — | — | US | disclosed |