⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27909120 | 0.71 | ADRB2 (0.32) | — | |
| SCHEMBL27723448 | 0.71 | — | — | |
| SCHEMBL7034360 | 0.69 | — | — | |
| SCHEMBL742989 | 0.69 | — | — | |
| SCHEMBL27272730 | 0.65 | — | — | |
| SCHEMBL28819734 | 0.65 | — | — | |
| SCHEMBL4164757 | 0.65 | — | — | |
| SCHEMBL27896487 | 0.64 | — | — | |
| SCHEMBL6013871 | 0.63 | — | — | |
| SCHEMBL28696321 | 0.63 | — | — |
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-105101970-B | β -lactamase inhibitor | 维纳拓尔斯制药公司 | 2018-11-20 | — | — | CN | disclosed |
| CN-105026407-B | Beta-lactamase inhibitors | 维纳拓尔斯制药公司 | 2017-09-08 | — | — | CN | disclosed |
| CN-103827101-B | Dicyclo dihydroquinoline-2-ketone derivatives | 霍夫曼-拉罗奇有限公司 | 2016-12-07 | — | — | CN | disclosed |