⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29484652 | 0.69 | — | — | |
| SCHEMBL1009911 | 0.67 | — | — | |
| SCHEMBL7569812 | 0.67 | — | — | |
| SCHEMBL20357479 | 0.66 | POLA1 (0.38) | — | |
| SCHEMBL29277834 | 0.64 | — | — | |
| SCHEMBL28619444 | 0.63 | — | — | |
| SCHEMBL30800957 | 0.63 | — | — | |
| SCHEMBL28741522 | 0.55 | — | — | |
| SCHEMBL22593165 | 0.54 | — | — | |
| SCHEMBL25024453 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114040915-A | Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 里伯赛恩斯有限责任公司 | 2022-02-11 | — | — | CN | disclosed |