⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10231578 | 0.94 | — | — | |
| SCHEMBL14536410 | 0.87 | — | — | |
| SCHEMBL18678014 | 0.87 | — | — | |
| SCHEMBL18678013 | 0.87 | — | — | |
| SCHEMBL23643962 | 0.85 | CA1 (0.30) | — | |
| SCHEMBL10225929 | 0.84 | — | — | |
| SCHEMBL9947148 | 0.83 | — | — | |
| SCHEMBL13856915 | 0.82 | TSHR (0.34) | — | |
| SCHEMBL13744091 | 0.81 | THRB (0.31) | — | |
| SCHEMBL2876132 | 0.80 | HTT (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3147334-A1 | SURFACE TREATMENT LIQUID | TOKYO OHKA KOGYO CO., LTD. (JP) | 2017-03-29 | — | — | EP | disclosed |