⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6755059 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL672648 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL6751743 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL6751742 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL3356662 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL1506892 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL11397568 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL1549779 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL216766 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL6755016 | 0.86 | ALDH1A1 (0.33) | — |
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-0117530-B1 | PRODUCTION OF N-SUBSTITUTED (METH)ACRYLAMIDES FROM (METH)ACRYLATES AND AMINES OVER A METAL ALKOXIDE CATALYST | TEXACO DEVELOPMENT CORPORATION (US) | 1989-03-29 | — | — | EP | claimed |
| US-4492801-A | ONE STEP PROCESS | TEXACO INC. (US) | 1985-01-08 | — | — | US | claimed |
| EP-0117530-A1 | Production of N-substituted (meth)acrylamides from (meth)acrylates and amines over a metal alkoxide catalyst | TEXACO DEVELOPMENT CORPORATION (US) | 1984-09-05 | — | — | EP | claimed |
| EP-0362119-B1 | IMPROVED PROCESS FOR THE CATALYZED SYNTHESIS OF N-SUBSTITUTED ACRYLAMIDES AND METHACRYLAMIDES | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1993-07-28 | — | — | EP | disclosed |
| EP-0362119-A2 | Improved process for the catalyzed synthesis of N-substituted acrylamides and methacrylamides | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1990-04-04 | — | — | EP | disclosed |
| EP-0117530-B1 | PRODUCTION OF N-SUBSTITUTED (METH)ACRYLAMIDES FROM (METH)ACRYLATES AND AMINES OVER A METAL ALKOXIDE CATALYST | TEXACO DEVELOPMENT CORPORATION (US) | 1989-03-29 | — | — | EP | disclosed |
| US-4492801-A | ONE STEP PROCESS | TEXACO INC. (US) | 1985-01-08 | — | — | US | disclosed |
| EP-0117530-A1 | Production of N-substituted (meth)acrylamides from (meth)acrylates and amines over a metal alkoxide catalyst | TEXACO DEVELOPMENT CORPORATION (US) | 1984-09-05 | — | — | EP | disclosed |