⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12650430 | 0.82 | CLK1 (0.34) | — | |
| SCHEMBL12650490 | 0.81 | — | — | |
| SCHEMBL13474635 | 0.79 | LPL (0.38) | — | |
| SCHEMBL10224843 | 0.78 | PBRM1 (0.39) | — | |
| SCHEMBL5781980 | 0.78 | LPL (0.46) | — | |
| SCHEMBL14792947 | 0.76 | PDE3B (0.39) | — | |
| SCHEMBL12908021 | 0.76 | — | — | |
| SCHEMBL30284869 | 0.74 | LPL (0.44) | — | |
| SCHEMBL4158988 | 0.74 | LPL (0.44) | — | |
| SCHEMBL12049915 | 0.74 | AHR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110118249-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) | 2011-05-19 | — | — | US | disclosed |