⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8601511 | 0.74 | — | — | |
| SCHEMBL6118514 | 0.74 | — | — | |
| SCHEMBL1908509 | 0.73 | — | — | |
| SCHEMBL18775620 | 0.72 | SLC22A6 (0.30) | — | |
| SCHEMBL12368527 | 0.71 | — | — | |
| SCHEMBL25759644 | 0.70 | — | — | |
| SCHEMBL18480938 | 0.70 | — | — | |
| SCHEMBL25944492 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL8596615 | 0.70 | THRB (0.35) | — | |
| SCHEMBL1908512 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230002437-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | ANTENGENE THERAPEUTICS LIMITED (CN) | 2023-01-05 | — | — | US | disclosed |