⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19465021 | 0.78 | — | — | |
| SCHEMBL11835581 | 0.77 | — | — | |
| SCHEMBL15144386 | 0.76 | CES2 (0.55) | — | |
| SCHEMBL11229278 | 0.76 | — | — | |
| SCHEMBL108642 | 0.75 | CES1 (1.00) | — | |
| SCHEMBL28677714 | 0.74 | — | — | |
| SCHEMBL30934398 | 0.74 | CES2 (0.52) | — | |
| SCHEMBL8089105 | 0.74 | — | — | |
| SCHEMBL29093045 | 0.72 | EGLN1 (0.55) | — | |
| SCHEMBL28213292 | 0.72 | HDAC3 (0.32) | — |
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-6924314-B2 | Compounds for the treatment of metabolic disorders | WELLSTAT THERAPEUTICS CORPORATION (US) | 2005-08-02 | — | — | US | disclosed |