⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9019553 | 0.81 | — | — | |
| SCHEMBL128754 | 0.79 | — | — | |
| SCHEMBL1260437 | 0.77 | — | — | |
| SCHEMBL31134830 | 0.76 | — | — | |
| SCHEMBL29101696 | 0.76 | — | — | |
| SCHEMBL127082 | 0.75 | — | — | |
| SCHEMBL27573884 | 0.75 | — | — | |
| SCHEMBL2410094 | 0.75 | — | — | |
| SCHEMBL5597660 | 0.74 | — | — | |
| SCHEMBL15283301 | 0.73 | HCAR2 (0.52) | — |
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 |