⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24310228 | 1.00 | — | — | |
| SCHEMBL20434141 | 0.81 | OPRM1 (0.33) | — | |
| SCHEMBL4233707 | 0.81 | — | — | |
| SCHEMBL421625 | 0.81 | — | — | |
| SCHEMBL5733242 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL433509 | 0.79 | — | — | |
| SCHEMBL27062720 | 0.79 | — | — | |
| SCHEMBL536313 | 0.79 | — | — | |
| SCHEMBL5173876 | 0.79 | — | — | |
| Ethane SCHEMBL3295431 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107540565-B | Preparation of N, N- (di) alkylaminoalkyl (meth) acrylamides or the corresponding esters and quaternary ammonium salts thereof | 赢创运营有限公司 | 2022-10-21 | — | — | CN | disclosed |
| 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 |
| 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 |