⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25967536 | 0.73 | — | — | |
| SCHEMBL25967530 | 0.73 | — | — | |
| SCHEMBL25967533 | 0.69 | — | — | |
| SCHEMBL21966138 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL14524695 | 0.67 | — | — | |
| SCHEMBL5948318 | 0.67 | — | — | |
| SCHEMBL25967539 | 0.67 | — | — | |
| SCHEMBL25967528 | 0.67 | — | — | |
| SCHEMBL13452824 | 0.65 | — | — | |
| SCHEMBL2972549 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2892891-B1 | ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS | BOEHRINGER INGELHEIM INT (DE) | 2019-07-31 | — | — | EP | disclosed |