⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3367028 | 0.72 | — | — | |
| SCHEMBL26342818 | 0.71 | — | — | |
| SCHEMBL8729983 | 0.71 | — | — | |
| SCHEMBL15243798 | 0.71 | — | — | |
| SCHEMBL2608294 | 0.69 | — | — | |
| SCHEMBL25481779 | 0.69 | — | — | |
| SCHEMBL7931187 | 0.68 | — | — | |
| SCHEMBL1021004 | 0.67 | — | — | |
| SCHEMBL10283581 | 0.67 | — | — | |
| SCHEMBL14958848 | 0.67 | CDK1 (0.30) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0757978-B1 | Process for the preparation of 2-(alkoxymethyl)acrolein | DEGUSSA (DE) | 2001-09-12 | — | — | EP | disclosed |
| US-5705706-A | Process for the production of 2-(alkoxymethyl)acrolein | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1998-01-06 | — | — | US | disclosed |
| EP-0757978-A1 | Process for the preparation of 2-(alkoxymethyl)acrolein | Degussa Aktiengesellschaft (DE) | 1997-02-12 | — | — | EP | disclosed |
| EP-0548520-B1 | Process for the manufacture of 2-alkoxymethylacrolein and its use for preparing 3-alkoxymethyl quinolines | AMERICAN CYANAMID CO (US) | 1997-01-29 | — | — | EP | disclosed |
| US-5506360-A | Process for the manufacture of 2-alkoxymethylacrolein | AMERICAN CYANAMID COMPANY (US) | 1996-04-09 | — | — | US | disclosed |
| US-5281713-A | Process for the manufacture of 2-alkoxymethylacrolein | AMERICAN CYANAMID COMPANY (US) | 1994-01-25 | — | — | US | disclosed |
| EP-0548520-A2 | Process for the manufacture of 2-alkoxymethylacrolein and its use for preparing 3-alkoxymethyl quinolines | AMERICAN CYANAMID COMPANY (US) | 1993-06-30 | — | — | EP | disclosed |
| US-5177266-A | Proccess for the manufacture of 2-alkoxymethylacrolein | AMERICAN CYANAMID COMPANY (US) | 1993-01-05 | — | — | US | disclosed |