⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16295878 | 1.00 | — | — | |
| SCHEMBL14540865 | 0.83 | — | — | |
| SCHEMBL5440944 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL28803262 | 0.79 | HRH4 (0.30) | — | |
| Tert-Butyl Formate SCHEMBL28811787 | 0.75 | TDP1 (0.43) | — | |
| SCHEMBL14960418 | 0.73 | — | — | |
| SCHEMBL8009629 | 0.69 | — | — | |
| SCHEMBL2012503 | 0.67 | — | — | |
| SCHEMBL3284269 | 0.67 | — | — | |
| SCHEMBL31251896 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220142960-A1 | Compositions and Methods for Treating Metabolic Disorders | VEROSCIENCE LLC | 2022-05-12 | — | — | US | disclosed |
| US-20150011554-A1 | Compositions and Methods for Treating Metabolic Disorders | VEROSCIENCE LLC | 2015-01-08 | — | — | US | disclosed |