⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7593774 | 0.97 | — | — | |
| SCHEMBL18686775 | 0.97 | — | — | |
| SCHEMBL12377423 | 0.90 | — | — | |
| SCHEMBL14501674 | 0.83 | — | — | |
| SCHEMBL11304927 | 0.69 | — | — | |
| SCHEMBL10594125 | 0.68 | — | — | |
| SCHEMBL94907 | 0.68 | — | — | |
| SCHEMBL6267031 | 0.68 | — | — | |
| SCHEMBL548297 | 0.67 | — | — | |
| SCHEMBL9158290 | 0.67 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106986768-B | The method for preparing α, β-insatiable hunger and/or α-halogenatedketone and aldehyde | 国际香料和香精公司 | 2018-11-23 | — | — | CN | disclosed |
| EP-3184504-B1 | METHODS OF PREPARING ALPHA,BETA-UNSATURATED OR ALPHA-HALO KETONES AND ALDEHYDES | INT FLAVORS & FRAGRANCES INC (US) | 2018-05-02 | — | — | EP | disclosed |
| US-9796653-B2 | Methods of preparing α,β-unsaturated or α-halo ketones and aldehydes | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2017-10-24 | — | — | US | disclosed |
| US-9796653-B2 | Methods of preparing α,β-unsaturated or α-halo ketones and aldehydes | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2017-10-24 | — | — | US | disclosed |
| US-9796653-B2 | Methods of preparing α,β-unsaturated or α-halo ketones and aldehydes | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2017-10-24 | — | — | US | disclosed |
| EP-3184504-A1 | METHODS OF PREPARING ALPHA,BETA-UNSATURATED OR ALPHA-HALO KETONES AND ALDEHYDES | International Flavors & Fragrances Inc. (US) | 2017-06-28 | — | — | EP | disclosed |
| US-20170174607-A1 | METHODS OF PREPARING a,ß-UNSATURATED OR a-HALO KETONES AND ALDEHYDES | INT FLAVORS & FRAGRANCES INC (US) | 2017-06-22 | — | — | US | disclosed |
| US-20170174607-A1 | METHODS OF PREPARING a,ß-UNSATURATED OR a-HALO KETONES AND ALDEHYDES | INT FLAVORS & FRAGRANCES INC (US) | 2017-06-22 | — | — | US | disclosed |
| US-20170174607-A1 | METHODS OF PREPARING a,ß-UNSATURATED OR a-HALO KETONES AND ALDEHYDES | INT FLAVORS & FRAGRANCES INC (US) | 2017-06-22 | — | — | US | disclosed |
| EP-1509537-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2005-03-02 | — | — | EP | disclosed |
| WO-2003090690-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | WO | disclosed |
| WO-2002100861-A1 | 1-(3-PHENYLOXYPROPYL)PIPERIDINE DERIVATIVES | AKZO NOBEL N.V. (NL) | 2002-12-19 | — | — | WO | disclosed |
| US-3998807-A | ARABINOFURANOSYL CYTOSINES AND METHODS OF MAKING | SYNTEX (U.S.A.) INC. (US) | 1976-12-21 | — | — | US | disclosed |