⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL101996 | 0.65 | — | — | |
| Arsenic SCHEMBL28213424 | 0.63 | — | — | |
| SCHEMBL11819707 | 0.61 | — | — | |
| SCHEMBL104277 | 0.60 | — | — | |
| SCHEMBL5898285 | 0.60 | — | — | |
| SCHEMBL11152394 | 0.58 | — | — | |
| SCHEMBL893 | 0.57 | — | — | |
| SCHEMBL9118315 | 0.54 | — | — | |
| Cyclopentene SCHEMBL9472083 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL11545361 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0367019-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1993-05-12 | — | — | EP | claimed |
| US-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | claimed |
| US-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |