⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21129552 | 0.72 | — | — | |
| SCHEMBL9527745 | 0.67 | — | — | |
| SCHEMBL11565919 | 0.67 | — | — | |
| SCHEMBL1935011 | 0.67 | — | — | |
| SCHEMBL7405815 | 0.65 | — | — | |
| SCHEMBL698167 | 0.64 | — | — | |
| SCHEMBL386234 | 0.61 | — | — | |
| SCHEMBL18335396 | 0.61 | — | — | |
| SCHEMBL6844183 | 0.61 | — | — | |
| SCHEMBL443147 | 0.61 | — | — |
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 4 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 |
| US-4308269-A | ANTITUMOUR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1981-12-29 | — | — | US | disclosed |
| EP-0021173-A1 | Maytansinoids, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1981-01-07 | — | — | EP | disclosed |