⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31115182 | 0.88 | HPGD (0.30) | — | |
| SCHEMBL29117753 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL14136147 | 0.80 | — | — | |
| SCHEMBL13713857 | 0.76 | — | — | |
| SCHEMBL19881178 | 0.76 | HSD11B1 (0.31) | — | |
| SCHEMBL825348 | 0.76 | HSD11B1 (0.31) | — | |
| SCHEMBL29142933 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL10005765 | 0.75 | CYP3A4 (0.31) | — | |
| SCHEMBL13713861 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL16675100 | 0.74 | ALDH1A1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116981758-A | Thermally responsive brush polymers having a copolymer backbone and copolymer arms | 英菲诺姆国际有限公司 | 2023-10-31 | — | — | CN | disclosed |