⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8599390 | 1.00 | — | — | |
| SCHEMBL8604581 | 1.00 | — | — | |
| SCHEMBL1785866 | 0.78 | — | — | |
| SCHEMBL1785867 | 0.78 | — | — | |
| SCHEMBL9051136 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL309930 | 0.74 | CES1 (0.42) | — | |
| SCHEMBL309929 | 0.74 | CES1 (0.42) | — | |
| SCHEMBL8600822 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL1782116 | 0.72 | CES2 (0.44) | — | |
| SCHEMBL5312999 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3468943-B1 | PROCESS FOR THE PREPARATION OF ALCOHOLS FROM ALFA,BETA-UNSATURATED ALDEHYDES AND KETONES | GIVAUDAN SA (CH) | 2020-10-21 | — | — | EP | disclosed |
| US-10570072-B2 | Process for the preparation of alcohols from alfa, beta-unsaturated aldehydes and ketones | GIVAUDAN SA (CH) | 2020-02-25 | — | — | US | disclosed |
| US-20190218164-A1 | Process for the Preparation of Alcohols from Alfa, Beta-Unsaturated Aldehydes and Ketones | GIVAUDAN SA (CH) | 2019-07-18 | — | — | US | disclosed |
| EP-3468943-A1 | PROCESS FOR THE PREPARATION OF ALCOHOLS FROM ALFA,BETA-UNSATURATED ALDEHYDES AND KETONES | Givaudan SA (CH) | 2019-04-17 | — | — | EP | disclosed |
| WO-2017212069-A1 | PROCESS FOR THE PREPARATION OF ALCOHOLS FROM ALFA,BETA-UNSATURATED ALDEHYDES AND KETONES | GIVAUDAN SA (CH) | 2017-12-14 | — | — | WO | disclosed |
| US-5710290-A | Functionalized cycloaliphatic nitrile oxides | THE DOW CHEMICAL COMPANY (US) | 1998-01-20 | — | — | US | disclosed |