⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL96869 | 0.81 | TSHR (0.34) | — | |
| SCHEMBL96868 | 0.81 | TSHR (0.34) | — | |
| SCHEMBL2810501 | 0.78 | ATM (0.35) | — | |
| SCHEMBL27976128 | 0.77 | GAA (0.32) | — | |
| SCHEMBL10769367 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL12871889 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL8849245 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL16445725 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL4921204 | 0.70 | TSHR (0.37) | — | |
| Bicarbonate SCHEMBL9705031 | 0.70 | ALDH1A1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110225933-B | Aqueous polyurethane resin composition | 株式会社艾迪科 | 2021-11-19 | — | — | CN | disclosed |
| CN-108350309-A | Aqueous resin coating composition, heat-ray shielding film using same, and method for producing same | 株式会社ADEKA | 2018-07-31 | — | — | CN | disclosed |
| CN-103649143-B | Water-soluble polyurethane resin composition and easily adhesive polyester film coated with same | ADEKA CORP. (JP) | 2016-04-20 | — | — | CN | disclosed |
| EP-2210918-B1 | RESIN COMPOSITION AND RESIN MOLDED ARTICLE | ADEKA CORP (JP) | 2015-01-14 | — | — | EP | disclosed |
| CN-103189408-B | Water-based polyurethane resin composition, coating material using said composition, and coated article | ADEKA CORP | 2015-01-07 | — | — | CN | disclosed |
| US-20100249289-A1 | RESIN COMPOSITION AND RESIN MOLDED ARTICLE | ADEKA CORPORATION (JP) | 2010-09-30 | — | — | US | disclosed |
| EP-2210918-A1 | RESIN COMPOSITION AND RESIN MOLDED ARTICLE | Adeka Corporation (JP) | 2010-07-28 | — | — | EP | disclosed |