⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21719330 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL20844015 | 0.74 | — | — | |
| SCHEMBL22167734 | 0.70 | — | — | |
| SCHEMBL21719198 | 0.65 | — | — | |
| SCHEMBL21719199 | 0.64 | — | — | |
| SCHEMBL21719338 | 0.64 | — | — | |
| SCHEMBL21719399 | 0.61 | TUBB4A (0.32) | — | |
| SCHEMBL14327690 | 0.61 | — | — | |
| SCHEMBL21719403 | 0.59 | ATAD2 (0.31) | — | |
| SCHEMBL21719604 | 0.57 | — | — |
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-2020135771-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 武汉朗来科技发展有限公司 | 2020-07-02 | — | — | WO | disclosed |