⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1224735 | 1.00 | — | — | |
| SCHEMBL28171086 | 0.81 | P2RX7 (0.61) | — | |
| SCHEMBL37469 | 0.79 | — | — | |
| SCHEMBL28026231 | 0.79 | — | — | |
| SCHEMBL2171405 | 0.79 | — | — | |
| SCHEMBL29587616 | 0.79 | — | — | |
| SCHEMBL37633 | 0.78 | P2RX7 (0.69) | — | |
| SCHEMBL7435109 | 0.77 | — | — | |
| SCHEMBL882669 | 0.77 | — | — | |
| SCHEMBL8022617 | 0.77 | — | — |
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-117693511-A | Penicillin binding protein inhibitors | 维纳拓尔斯制药公司 | 2024-03-12 | — | — | CN | disclosed |