⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7189072 | 1.00 | — | — | |
| SCHEMBL11826153 | 0.77 | MEN1 (0.36) | — | |
| SCHEMBL13703081 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL9789466 | 0.74 | — | — | |
| SCHEMBL9789470 | 0.74 | — | — | |
| SCHEMBL10026570 | 0.70 | — | — | |
| SCHEMBL8053960 | 0.69 | — | — | |
| SCHEMBL4054431 | 0.68 | — | — | |
| SCHEMBL14134591 | 0.67 | — | — | |
| SCHEMBL13703088 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1383726-A1 | PROCESS FOR THE PREPARATION OF KETONES | Degussa AG (DE) | 2004-01-28 | — | — | EP | disclosed |
| EP-1383725-A1 | PROCESS FOR THE PREPARATION OF UNSATURATED KETONES | Degussa AG (DE) | 2004-01-28 | — | — | EP | disclosed |
| EP-1092700-B1 | Process for the preparation of unsaturated 4,5-allene ketones, 3,5-dienketones and the corresponding saturated ketones | DEGUSSA (DE) | 2003-10-22 | — | — | EP | disclosed |
| US-6586635-B2 | Reacting preheated unsaturated alcohol and enol ether in presence of acid catalyst to form (alpha, beta, gamma or alpha, beta, gamma, delta) unsaturated ketones and one or more ketals as by-products | DEGUSSA AG (DE) | 2003-07-01 | — | — | US | disclosed |
| US-20020169342-A1 | Process for the preparation of unsaturated ketones | DEGUSSA AG (DE) | 2002-11-14 | — | — | US | disclosed |
| WO-2002088065-A1 | PROCESS FOR THE PREPARATION OF KETONES | DEGUSSA AG (DE) | 2002-11-07 | — | — | WO | disclosed |
| WO-2002088064-A1 | PROCESS FOR THE PREPARATION OF UNSATURATED KETONES | DEGUSSA AG (DE) | 2002-11-07 | — | — | WO | disclosed |
| US-20020161263-A1 | Process for the preparation of ketones | DEGUSSA AG (DE) | 2002-10-31 | — | — | US | disclosed |
| US-6380437-B1 | REACTING A TERTIARY PROPARGYL ALCOHOL WITH ALKENYL ALKYL ETHER OR KETAL; HEATING, PRESSURIZATION IN PRESENCE OF SULFONIC ACID | DEGUSSA AG (DE) | 2002-04-30 | — | — | US | disclosed |
| EP-1092700-A1 | Process for the preparation of unsaturated 4,5-allene ketones, 3,5-dienketones and the corresponding saturated ketones | Degussa-Hüls Aktiengesellschaft (DE) | 2001-04-18 | — | — | EP | disclosed |