⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9346745 | 0.77 | — | — | |
| SCHEMBL30783362 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL31156732 | 0.72 | HPGD (0.31) | — | |
| SCHEMBL28849232 | 0.70 | — | — | |
| SCHEMBL3381969 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL43000 | 0.68 | — | — | |
| SCHEMBL4365632 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL28479078 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL28292716 | 0.67 | — | — | |
| SCHEMBL7912501 | 0.66 | TSHR (0.38) | — |
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-111936525-B | Curable composition for light molding, lost foam, and method for producing three-dimensional molded article | 三井化学株式会社 | 2023-09-01 | — | — | CN | disclosed |
| EP-4024134-A1 | RESIN COMPOSITION AND APPLICATIONS THEREOF | Zhejiang First Advanced Material R&D Institute Co., Ltd. (CN) | 2022-07-06 | — | — | EP | disclosed |