⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4767353 | 0.61 | — | — | |
| SCHEMBL14079694 | 0.61 | — | — | |
| SCHEMBL13330605 | 0.60 | — | — | |
| SCHEMBL18951795 | 0.58 | — | — | |
| SCHEMBL16168381 | 0.54 | ALDH1A1 (0.30) | — | |
| SCHEMBL337073 | 0.54 | — | — | |
| SCHEMBL1169534 | 0.53 | CA12 (0.66) | — | |
| SCHEMBL344067 | 0.53 | CA2 (0.61) | — | |
| SCHEMBL1628933 | 0.53 | — | — | |
| SCHEMBL1097724 | 0.53 | — | — |
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-3312172-A1 | AMINOPYRAZOLE DERIVATIVES | Chugai Seiyaku Kabushiki Kaisha (JP) | 2018-04-25 | — | — | EP | disclosed |