⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14823386 | 0.76 | — | — | |
| SCHEMBL13159662 | 0.72 | — | — | |
| SCHEMBL256013 | 0.70 | — | — | |
| SCHEMBL17622963 | 0.69 | — | — | |
| SCHEMBL20194670 | 0.68 | — | — | |
| SCHEMBL21991620 | 0.68 | — | — | |
| SCHEMBL10121320 | 0.68 | — | — | |
| SCHEMBL14565534 | 0.68 | — | — | |
| SCHEMBL23337048 | 0.67 | — | — | |
| SCHEMBL21916260 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012028676-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-08 | — | — | WO | disclosed |