⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8649598 | 1.00 | — | — | |
| SCHEMBL8649600 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9163403 | 0.94 | ALDH1A1 (0.40) | — | |
| SCHEMBL27799178 | 0.81 | ALDH1A1 (0.53) | — | |
| SCHEMBL273329 | 0.79 | — | — | |
| SCHEMBL19599277 | 0.79 | — | — | |
| SCHEMBL3604562 | 0.79 | — | — | |
| SCHEMBL3143411 | 0.79 | — | — | |
| SCHEMBL265140 | 0.79 | — | — | |
| SCHEMBL6752069 | 0.79 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3999491-A1 | COMPOUNDS FOR PROVIDING A LONG-LASTING FLORAL AND FRUITY ODOR | Firmenich SA (CH) | 2022-05-25 | — | — | EP | disclosed |
| WO-2021122997-A1 | COMPOUNDS FOR PROVIDING A LONG-LASTING FLORAL AND FRUITY ODOR | FIRMENICH SA (CH) | 2021-06-24 | — | — | WO | disclosed |
| US-20170327448-A1 | METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-11-16 | — | — | US | disclosed |
| US-20170327448-A1 | METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-11-16 | — | — | US | disclosed |
| US-20130045513-A1 | PROCESS FOR THE ENZYMATIC REDUCTION OF ENOATES | BASF SE (DE) | 2013-02-21 | — | — | US | disclosed |
| US-20110178107-A1 | HCV PROTEASE INHIBITORS | TAIGEN BIOTECHNOLOGY CO., LTD. (TW) | 2011-07-21 | — | — | US | disclosed |
| US-7939626-B2 | Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-05-10 | — | — | US | disclosed |
| US-7667012-B2 | Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product; N-azidogalactosamine | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-02-23 | — | — | US | disclosed |
| US-20070037964-A1 | Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-02-15 | — | — | US | disclosed |