⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18477434 | 0.82 | — | — | |
| SCHEMBL24500740 | 0.79 | — | — | |
| SCHEMBL26714624 | 0.77 | — | — | |
| SCHEMBL25679409 | 0.76 | — | — | |
| SCHEMBL15296979 | 0.76 | — | — | |
| SCHEMBL23628749 | 0.71 | — | — | |
| SCHEMBL20593058 | 0.69 | ARG1 (0.32) | — | |
| SCHEMBL7252176 | 0.67 | — | — | |
| SCHEMBL23083345 | 0.67 | — | — | |
| SCHEMBL23339265 | 0.67 | — | — |
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-10889569-B2 | Condensed ring group azacyclobutyl triazole derivative, preparation method therefor and use thereof in medicine | JIANGSU HENGRUI MEDICINE CO., LTD. (CN) | 2021-01-12 | — | — | US | disclosed |