⚠ 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 | |
|---|---|---|---|---|
| Tert-Butyl Hydroperoxide SCHEMBL8377296 | 0.87 | ALDH1A1 (1.00) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL788774 | 0.87 | ALDH1A1 (1.00) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL20212 | 0.87 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL27567073 | 0.83 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL10998804 | 0.83 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL29374805 | 0.83 | ALDH1A1 (0.75) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL5066592 | 0.82 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL2821344 | 0.82 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL11022695 | 0.82 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL11312019 | 0.82 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1588999-B1 | Process for producing hydroxy fatty acids from palm oil | MALAYSIAN PALM OIL BOARD (MY) | 2015-09-23 | — | — | EP | disclosed |
| US-7560578-B2 | Palm-based hydroxy fatty acid | MALAYSIAN PALM OIL BOARD (MY) | 2009-07-14 | — | — | US | disclosed |
| US-20050240041-A1 | Palm-based hydroxy fatty acid | MALAYSIAN PALM OIL BOARD (MY) | 2005-10-27 | — | — | US | disclosed |
| EP-1588999-A2 | Palm oil-based hydroxy fatty acids | Malaysian Palm Oil Board (MY) | 2005-10-26 | — | — | EP | disclosed |
| EP-0281245-B1 | Cytochrome P-450 enzymes | SANKYO CO (JP) | 1994-07-13 | — | — | EP | disclosed |
| US-5179013-A | Hydroxylation, biosynthesis | SANKYO COMPANY, LIMITED (JP) | 1993-01-12 | — | — | US | disclosed |
| EP-0281245-A2 | Cytochrome P-450 enzymes | Sankyo Company Limited (JP) | 1988-09-07 | — | — | EP | disclosed |