⚠ 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 | |
|---|---|---|---|---|
| Pyrrolidine SCHEMBL95765 | 0.95 | — | — | |
| Pyrrolidine SCHEMBL133852 | 0.91 | — | — | |
| Piperidine SCHEMBL13916947 | 0.87 | — | — | |
| Pyrrolidine SCHEMBL13915078 | 0.83 | — | — | |
| Azetidine SCHEMBL29378779 | 0.78 | — | — | |
| Piperidine SCHEMBL13916948 | 0.77 | — | — | |
| Aziridine SCHEMBL3089497 | 0.74 | — | — | |
| Aziridine SCHEMBL16878816 | 0.74 | — | — | |
| Aziridine SCHEMBL2267 | 0.74 | — | — | |
| Aziridine SCHEMBL29376529 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115551870-A | Spirocyclic inhibitors of hepatitis B virus | 圣拉斐尔医院有限公司 | 2022-12-30 | — | — | CN | claimed |
| CN-115551870-A | Spirocyclic inhibitors of hepatitis B virus | 圣拉斐尔医院有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-108884096-B | Spiroindolinones as DDR1 inhibitors | 豪夫迈·罗氏有限公司 | 2022-03-22 | — | — | CN | disclosed |