⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21860985 | 0.81 | — | — | |
| SCHEMBL29502628 | 0.79 | HSD11B1 (0.37) | — | |
| SCHEMBL29437748 | 0.78 | — | — | |
| SCHEMBL31381391 | 0.73 | — | — | |
| SCHEMBL10835752 | 0.70 | — | — | |
| SCHEMBL3480456 | 0.67 | — | — | |
| SCHEMBL1642609 | 0.66 | CYP3A4 (0.36) | — | |
| SCHEMBL28199374 | 0.64 | PKM (0.32) | — | |
| SCHEMBL29249191 | 0.64 | — | — | |
| SCHEMBL22928577 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2078016-B1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2012-02-01 | — | — | EP | disclosed |