⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30042415 | 1.00 | — | — | |
| SCHEMBL30042408 | 0.86 | — | — | |
| SCHEMBL30041132 | 0.86 | — | — | |
| SCHEMBL11997889 | 0.78 | — | — | |
| SCHEMBL13354141 | 0.78 | — | — | |
| SCHEMBL27458953 | 0.78 | — | — | |
| SCHEMBL347526 | 0.78 | — | — | |
| SCHEMBL16834526 | 0.78 | — | — | |
| Hydrogen Peroxide SCHEMBL28104200 | 0.75 | ADH1B (0.52) | — | |
| SCHEMBL20325005 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021121387-A1 | APPLICATION OF COMPOUND IN DRUG PREPARATION | 南京明德新药研发有限公司 | 2021-06-24 | — | — | WO | disclosed |