⚠ 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 | |
|---|---|---|---|---|
| Acrylonitrile SCHEMBL2412372 | 0.90 | — | — | |
| Acrylonitrile SCHEMBL28054269 | 0.88 | — | — | |
| Acrylamide SCHEMBL2051201 | 0.88 | — | — | |
| Hydroxyurea SCHEMBL28391688 | 0.83 | — | — | |
| Acrylonitrile SCHEMBL180053 | 0.83 | — | — | |
| Acrylic Acid SCHEMBL1164716 | 0.81 | ALDH1A1 (0.55) | — | |
| Acrylic Acid SCHEMBL26665703 | 0.81 | ALDH1A1 (0.55) | — | |
| Acrylonitrile SCHEMBL8468763 | 0.81 | TDP1 (0.60) | — | |
| Acrylonitrile SCHEMBL29291040 | 0.80 | ALDH1A1 (0.60) | — | |
| Acrylonitrile SCHEMBL11507525 | 0.80 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102863574-B | Method for preparing isotactic polyacrylonitrile and application thereof | USTC UNIV SCIENCE TECH CN | 2014-04-16 | — | — | CN | disclosed |
| CN-102863574-A | Method for preparing isotactic polyacrylonitrile and application thereof | USTC UNIV SCIENCE TECH CN | 2013-01-09 | — | — | CN | disclosed |
| US-7091293-B2 | Stereoregular polar vinyl polymers and methods of making the same | NORTH CAROLINA STATE UNIVERSITY (US) | 2006-08-15 | — | — | US | disclosed |
| US-20050176904-A1 | Stereoregular polar vinyl polymers and methods of making the same | NORTH CAROLINA STATE UNIVERSITY | 2005-08-11 | — | — | US | disclosed |
| EP-1511777-A1 | STEREOREGULAR POLAR VINYL POLYMERS AND METHODS OF MAKING THE SAME | North Carolina State University (US) | 2005-03-09 | — | — | EP | disclosed |
| WO-2003099878-A1 | STEREOREGULAR POLAR VINYL POLYMERS AND METHODS OF MAKING THE SAME | NORTH CAROLINA STATE UNIVERSITY (US) | 2003-12-04 | — | — | WO | disclosed |
| EP-0397394-B1 | Stereoregular acrylonitrile polymer and composition comprising same | ASAHI CHEMICAL IND (JP) | 1993-12-01 | — | — | EP | disclosed |
| US-5162476-A | Stereoregular acrylonitrile polymer and composition comprising same | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1992-11-10 | — | — | US | disclosed |
| EP-0397394-A2 | Stereoregular acrylonitrile polymer and composition comprising same | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1990-11-14 | — | — | EP | disclosed |