⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2637150 | 0.83 | — | — | |
| SCHEMBL59961 | 0.79 | CYP2C9 (0.36) | — | |
| SCHEMBL28092829 | 0.78 | GAA (0.38) | — | |
| SCHEMBL7346738 | 0.70 | — | — | |
| SCHEMBL8706138 | 0.70 | SLC1A2 (0.34) | — | |
| Acrylic Acid SCHEMBL28563115 | 0.68 | THRB (0.30) | — | |
| SCHEMBL19328733 | 0.68 | — | — | |
| SCHEMBL23453794 | 0.68 | THRB (0.40) | — | |
| SCHEMBL838918 | 0.68 | THRB (0.40) | — | |
| SCHEMBL392678 | 0.68 | THRB (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113444559-B | Battery foil rolling additive and preparation method and application thereof | 奎克化学（中国）有限公司 | 2023-03-21 | — | — | CN | claimed |
| CN-113444559-A | Battery foil rolling additive and preparation method and application thereof | 奎克化学（中国）有限公司 | 2021-09-28 | — | — | CN | claimed |
| CN-113444559-B | Battery foil rolling additive and preparation method and application thereof | 奎克化学（中国）有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-113444559-A | Battery foil rolling additive and preparation method and application thereof | 奎克化学（中国）有限公司 | 2021-09-28 | — | — | CN | disclosed |
| CN-105980347-B | Method for producing novel alicyclic ester compound, (meth) acrylic copolymer obtained by polymerizing the same, and photosensitive resin composition containing the same | 三菱瓦斯化学株式会社 | 2019-08-16 | — | — | CN | disclosed |
| CN-105980347-A | Method for producing novel alicyclic ester compound, (meth) acrylic copolymer obtained by polymerizing the same, and photosensitive resin composition containing the same | 三菱瓦斯化学株式会社 | 2016-09-28 | — | — | CN | disclosed |