⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2089866 | 0.74 | — | — | |
| SCHEMBL31029450 | 0.74 | — | — | |
| SCHEMBL25813854 | 0.74 | — | — | |
| SCHEMBL27712390 | 0.73 | — | — | |
| SCHEMBL27692225 | 0.72 | — | — | |
| SCHEMBL27692148 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL27498790 | 0.67 | NCF1 (0.33) | — | |
| SCHEMBL12624253 | 0.66 | DRD3 (0.35) | — | |
| SCHEMBL2860084 | 0.65 | — | — | |
| SCHEMBL2089060 | 0.65 | — | — |
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-103492374-A | Pyrazolidin-3-one derivatives | HOFFMANN LA ROCHE | 2014-01-01 | — | — | CN | disclosed |
| CN-1032239-C | Process for selective removal of inorganic and/or organic sulfur-containing compounds | UBE INDUSTRIES (JP) | 1996-07-10 | — | — | CN | disclosed |
| CN-1063052-A | The method of selective removal of inorganic and/or sulfur-containing organic compound | UBE INDUSTRIES (JP) | 1992-07-29 | — | — | CN | disclosed |