⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4624687 | 0.97 | — | — | |
| SCHEMBL44046 | 0.97 | — | — | |
| SCHEMBL1408674 | 0.97 | — | — | |
| SCHEMBL28313632 | 0.94 | — | — | |
| Water SCHEMBL28078913 | 0.94 | — | — | |
| Acetone SCHEMBL27299298 | 0.94 | LMNA (0.35) | — | |
| SCHEMBL28146930 | 0.94 | — | — | |
| SCHEMBL28090910 | 0.89 | — | — | |
| SCHEMBL29045270 | 0.87 | LMNA (0.31) | — | |
| SCHEMBL28130642 | 0.87 | ALDH1A1 (0.36) | — |
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-116027043-A | Methods and compositions for detecting misfolded proteins | 耶鲁大学 | 2023-04-28 | — | — | CN | disclosed |
| CN-111356924-A | Method for detecting inflammatory body proteins as biomarkers for neurological disorders | 迈阿密大学 | 2020-06-30 | — | — | CN | disclosed |