⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25407 | 0.96 | — | — | |
| SCHEMBL2096471 | 0.87 | ALDH1A1 (0.55) | — | |
| SCHEMBL10439485 | 0.80 | CYP2C19 (0.50) | — | |
| SCHEMBL3098976 | 0.80 | CYP2A6 (0.42) | — | |
| SCHEMBL5540429 | 0.80 | MAPT (0.58) | — | |
| SCHEMBL18508 | 0.76 | — | — | |
| SCHEMBL147275 | 0.76 | — | — | |
| SCHEMBL3138002 | 0.71 | — | — | |
| Methane SCHEMBL21489530 | 0.71 | CYP2A6 (0.89) | — | |
| SCHEMBL21518322 | 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-113121354-A | Synthesis method of substituted biphenyl compound | 武汉工程大学 | 2021-07-16 | — | — | CN | disclosed |
| CN-105593230-B | Cathepsin cysteine protease inhibitors | 默沙东公司 | 2018-07-06 | — | — | CN | disclosed |
| CN-105593230-A | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME | 2016-05-18 | — | — | CN | disclosed |