⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10867491 | 0.87 | LMNA (0.36) | — | |
| SCHEMBL30850134 | 0.87 | LMNA (0.36) | — | |
| SCHEMBL5927856 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL3951779 | 0.83 | KDM4E (0.41) | — | |
| SCHEMBL14136387 | 0.82 | LMNA (0.42) | — | |
| SCHEMBL3664048 | 0.81 | — | — | |
| SCHEMBL8262545 | 0.81 | — | — | |
| SCHEMBL1619439 | 0.80 | — | — | |
| SCHEMBL5056954 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL12776508 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10343980-B2 | Preparation of N,N-(di)alkylaminoalkyl(meth)acrylamide or N,N-(di)alkylaminoalkyl (meth)acrylate and the quaternary ammonium salts thereof as flocculating aids and gelling agents | EVONIK ROEHM GMBH (DE) | 2019-07-09 | — | — | US | disclosed |
| CN-107540565-A | The preparation of N, N (two) alkyl amino alkyl (methyl) acrylamide or corresponding ester and its quaternary ammonium salt | 赢创罗姆有限公司 | 2018-01-05 | — | — | CN | disclosed |
| US-20170369424-A1 | PREPARATION OF N,N-(DI)ALKYLAMINOALKYL(METH)ACRYLAMIDE OR N,N-(DI)ALKYLAMINOALKYL (METH)ACRYLATE AND THE QUATERNARY AMMONIUM SALTS THEREOF AS FLOCCULATING AIDS AND GELLING AGENTS | EVONIK ROEHM GMBH (DE) | 2017-12-28 | — | — | US | disclosed |