⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1187005 | 0.85 | — | — | |
| Alcohol SCHEMBL10696050 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL29793430 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL12441774 | 0.74 | MAPT (0.35) | — | |
| SCHEMBL3188625 | 0.71 | — | — | |
| SCHEMBL11825958 | 0.71 | — | — | |
| SCHEMBL9762556 | 0.71 | — | — | |
| SCHEMBL3187131 | 0.71 | — | — | |
| SCHEMBL10398915 | 0.71 | GAA (0.36) | — | |
| SCHEMBL8813561 | 0.71 | GAA (0.42) | — |
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-114907250-A | Deuterated morpholine ornidazole and application thereof | 华创合成制药股份有限公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-114907405-A | Deuterated nitroimidazole compound and pharmaceutical application thereof | 华创合成制药股份有限公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-114907405-A | Deuterated nitroimidazole compound and pharmaceutical application thereof | 华创合成制药股份有限公司 | 2022-08-16 | — | — | CN | disclosed |