⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24687272 | 0.83 | ABL1 (0.33) | — | |
| SCHEMBL24687282 | 0.77 | ABL1 (0.33) | — | |
| SCHEMBL24687101 | 0.73 | MAPT (0.38) | — | |
| SCHEMBL20560561 | 0.66 | PKM (0.38) | — | |
| SCHEMBL11022982 | 0.65 | PYCR1 (0.43) | — | |
| SCHEMBL11698172 | 0.64 | SNCA (0.35) | — | |
| SCHEMBL26078400 | 0.64 | PYCR1 (0.47) | — | |
| SCHEMBL24686030 | 0.64 | ROCK2 (0.49) | — | |
| SCHEMBL24686769 | 0.63 | ANO1 (0.51) | — | |
| SCHEMBL29386373 | 0.62 | KMT2A (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022161416-A1 | AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 武汉朗来科技发展有限公司 | 2022-08-04 | — | — | WO | disclosed |