⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9019531 | 0.79 | — | — | |
| SCHEMBL998029 | 0.77 | — | — | |
| SCHEMBL798325 | 0.73 | — | — | |
| SCHEMBL446732 | 0.73 | — | — | |
| SCHEMBL1525043 | 0.71 | SOAT1 (0.36) | — | |
| SCHEMBL1524709 | 0.71 | — | — | |
| SCHEMBL798306 | 0.71 | CNR1 (0.33) | — | |
| SCHEMBL204638 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL5754056 | 0.70 | — | — | |
| SCHEMBL9128332 | 0.70 | CYP2C19 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0515420-B1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES | BOEHRINGER MANNHEIM GMBH (DE) | 1996-06-12 | — | — | EP | disclosed |
| US-5411989-A | Cardiovascular disorders | BOEHRINGER MANNHEIM, GMBH (DE) | 1995-05-02 | — | — | US | disclosed |