⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30081990 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL16547301 | 0.75 | XDH (0.37) | — | |
| SCHEMBL18120655 | 0.70 | HPGD (0.30) | — | |
| Hydrochloric Acid SCHEMBL27236252 | 0.69 | XDH (0.41) | — | |
| Hydrochloric Acid SCHEMBL1697482 | 0.67 | LMNA (0.32) | — | |
| Hydrochloric Acid SCHEMBL28606132 | 0.67 | — | — | |
| Bromide SCHEMBL28605512 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL14776653 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL14776651 | 0.66 | — | — | |
| SCHEMBL12531898 | 0.65 | KDM4E (0.34) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2574187-B1 | SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME | AMYRIS INC (US) | 2019-09-11 | — | — | EP | disclosed |
| US-20170275235-A1 | METHOD FOR SELECTIVE PALLADIUM-CATALYZED TELOMERIZATION OF SUBSTITUTED DIENES | INT FLAVORS & FRAGRANCES INC (US) | 2017-09-28 | — | — | US | disclosed |
| EP-3222610-A1 | METHOD FOR SELECTIVE PALLADIUM-CATALYZED TELOMERIZATION OF SUBSTITUTED DIENES | International Flavors & Fragrances Inc. (US) | 2017-09-27 | — | — | EP | disclosed |
| US-8586814-B2 | Squalane and isosqualane compositions and methods for preparing the same | Amyris, Inc. (US) | 2013-11-19 | — | — | US | disclosed |
| EP-2574187-A1 | SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME | Amyris Biotechnologies, Inc. (US) | 2013-04-03 | — | — | EP | disclosed |
| WO-2011146837-A1 | SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME | Amyris, Inc. (US) | 2011-11-24 | — | — | WO | disclosed |
| US-20110287988-A1 | SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME | EUAGORE, LLC | 2011-11-24 | — | — | US | disclosed |
| US-7504542-B2 | Preparation of α-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes | EVONIK DEGUSSA GMBH (DE) | 2009-03-17 | — | — | US | disclosed |
| US-7504542-B2 | Preparation of α-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes | EVONIK DEGUSSA GMBH (DE) | 2009-03-17 | — | — | US | disclosed |
| US-20080051608-A1 | Preparation of alpha-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes | DEGUSSA GMBH (DE) | 2008-02-28 | — | — | US | disclosed |
| US-20080051608-A1 | Preparation of alpha-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes | DEGUSSA GMBH (DE) | 2008-02-28 | — | — | US | disclosed |