⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27289657 | 0.85 | — | — | |
| SCHEMBL28068817 | 0.81 | — | — | |
| SCHEMBL27965563 | 0.78 | EPHX1 (0.31) | — | |
| SCHEMBL9147136 | 0.78 | — | — | |
| SCHEMBL18948729 | 0.77 | GAA (0.31) | — | |
| SCHEMBL18124436 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL11578917 | 0.73 | SPHK1 (0.30) | — | |
| SCHEMBL11812004 | 0.72 | EPHX1 (0.33) | — | |
| SCHEMBL27287231 | 0.72 | — | — | |
| SCHEMBL11089137 | 0.71 | — | — |
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-0316672-A1 | Process for the preparation of glyoxal monoacetals | BASF Aktiengesellschaft (DE) | 1989-05-24 | — | — | EP | claimed |
| CN-108699328-A | The manufacturing method of aromatic copolycarbonate resin composition and aromatic polycarbonate resin | 三菱瓦斯化学株式会社 | 2018-10-23 | — | — | CN | disclosed |
| CN-106471039-B | Polycarbonate, polyurethane, elastomer, method for producing polycarbonate, and method for producing polyurethane | 三菱瓦斯化学株式会社 | 2018-07-17 | — | — | CN | disclosed |
| CN-104797628-B | The manufacture method of aromatic polycarbonate resin through molecular weight | 三菱瓦斯化学株式会社 | 2017-08-11 | — | — | CN | disclosed |
| CN-106471039-A | Polycarbonate, polyurethane, elastomer, method for producing polycarbonate, and method for producing polyurethane | 三菱瓦斯化学株式会社 | 2017-03-01 | — | — | CN | disclosed |
| CN-103619908-B | The manufacture method of the aromatic polycarbonate resin that high fluidity Copolycarbonate, macromolecule quantify and aromatic copolycarbonate compound | 三菱瓦斯化学株式会社 | 2016-08-17 | — | — | CN | disclosed |
| CN-104837890-B | Manufacture method through the aromatic polycarbonate resin that macromolecule quantifies | 三菱瓦斯化学株式会社 | 2016-08-17 | — | — | CN | disclosed |
| EP-0316672-A1 | Process for the preparation of glyoxal monoacetals | BASF Aktiengesellschaft (DE) | 1989-05-24 | — | — | EP | disclosed |