⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19930247 | 0.79 | — | — | |
| SCHEMBL20051416 | 0.73 | AR (0.31) | — | |
| SCHEMBL26027605 | 0.71 | — | — | |
| SCHEMBL24037081 | 0.70 | AR (0.32) | — | |
| SCHEMBL14293621 | 0.70 | AR (0.32) | — | |
| SCHEMBL23084214 | 0.70 | — | — | |
| SCHEMBL2555632 | 0.68 | — | — | |
| SCHEMBL21158697 | 0.68 | — | — | |
| SCHEMBL23221295 | 0.65 | CHRNB2 (0.31) | — | |
| SCHEMBL13452824 | 0.65 | — | — |
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-2023126980-A1 | MERCAPTOPYRIMIDINE COMPOUNDS THAT INHIBIT NONHOMOLOGOUS END JOINING AND METHODS THEREOF | INDIAN INSTITUTE OF SCIENCE (IN) | 2023-07-06 | — | — | WO | disclosed |