⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29414723 | 0.91 | CD4 (0.31) | — | |
| SCHEMBL22632693 | 0.91 | CD4 (0.31) | — | |
| SCHEMBL38661434 | 0.91 | — | — | |
| SCHEMBL22632786 | 0.74 | CD4 (0.42) | — | |
| SCHEMBL31258414 | 0.74 | CD4 (0.42) | — | |
| SCHEMBL29414841 | 0.72 | HTR6 (0.35) | — | |
| SCHEMBL31405741 | 0.70 | — | — | |
| SCHEMBL22633271 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL38660572 | 0.67 | CYP2C19 (0.31) | — | |
| SCHEMBL22632420 | 0.67 | ALK (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114096531-A | THR-beta modulators and methods of use thereof | 阿利戈斯治疗公司 | 2022-02-25 | — | — | CN | disclosed |