⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25111360 | 0.78 | — | — | |
| SCHEMBL18948682 | 0.78 | — | — | |
| SCHEMBL11232698 | 0.78 | CETP (0.33) | — | |
| SCHEMBL18266708 | 0.77 | — | — | |
| SCHEMBL23656468 | 0.76 | — | — | |
| SCHEMBL27671618 | 0.75 | GABBR2 (0.30) | — | |
| SCHEMBL13072065 | 0.74 | — | — | |
| SCHEMBL18545854 | 0.72 | — | — | |
| SCHEMBL92782 | 0.72 | GRIN2D (0.31) | — | |
| SCHEMBL21368547 | 0.72 | GRIN2D (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107735425-A | Water soluble polymers and polymeric adducts and aqueous solutions thereof | 阿科玛股份有限公司 | 2018-02-23 | — | — | CN | disclosed |
| CN-105849189-A | Polyester-based resin composition, and molded body using the resin composition | 三菱瓦斯化学株式会社 | 2016-08-10 | — | — | CN | disclosed |