⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5012607 | 0.85 | — | — | |
| SCHEMBL4901859 | 0.84 | SLC22A12 (0.32) | — | |
| SCHEMBL5012584 | 0.83 | HSD11B1 (0.37) | — | |
| SCHEMBL4903599 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL5012555 | 0.82 | — | — | |
| SCHEMBL4891267 | 0.81 | — | — | |
| SCHEMBL5014209 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL4900046 | 0.79 | HSD11B1 (0.34) | — | |
| SCHEMBL4900204 | 0.79 | SLC22A12 (0.38) | — | |
| SCHEMBL4900195 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080305169-A1 | Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds | JAPAN TOBACCO INC. (JP) | 2008-12-11 | — | — | US | disclosed |
| EP-1820515-A1 | NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF | Japan Tobacco, Inc. (JP) | 2007-08-22 | — | — | EP | disclosed |
| US-20070010670-A1 | Nitrogen-containing fused ring compounds and use thereof | JAPAN TOBACCO INC. (JP) | 2007-01-11 | — | — | US | disclosed |