⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29020468 | 0.78 | — | — | |
| SCHEMBL11272370 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL8662435 | 0.72 | KEAP1 (0.32) | — | |
| SCHEMBL8662442 | 0.67 | HCAR2 (0.41) | — | |
| SCHEMBL28566651 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL9350655 | 0.66 | MAPT (0.39) | — | |
| SCHEMBL9510964 | 0.66 | TSHR (0.31) | — | |
| SCHEMBL28580743 | 0.66 | CYP3A4 (0.35) | — | |
| SCHEMBL28561725 | 0.66 | LPAR3 (0.43) | — | |
| SCHEMBL6420646 | 0.65 | ALDH1A1 (0.35) | — |
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-112159322-A | Auxiliary monomer for modified polyacrylate and modified polyacrylate | 杭州师范大学 | 2021-01-01 | — | — | CN | disclosed |
| CN-112159322-A | Auxiliary monomer for modified polyacrylate and modified polyacrylate | 杭州师范大学 | 2021-01-01 | — | — | CN | disclosed |