⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6745190 | 0.72 | — | — | |
| SCHEMBL4352 | 0.72 | — | — | |
| SCHEMBL107926 | 0.72 | — | — | |
| SCHEMBL10251 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL25372393 | 0.67 | — | — | |
| SCHEMBL11694327 | 0.67 | — | — | |
| SCHEMBL1668124 | 0.67 | — | — | |
| SCHEMBL10499529 | 0.67 | — | — | |
| SCHEMBL23343 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL6442671 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108475822-A | Non-aqueous electrolyte for secondary battery and the secondary cell for having it | 斯泰拉化工公司 | 2018-08-31 | — | — | CN | disclosed |
| US-20090099097-A1 | Enzyme inhibition | YALE UNIVERSITY (US) | 2009-04-16 | — | — | US | disclosed |
| US-7476650-B2 | Enzyme inhibition | YALE UNIVERSITY (US) | 2009-01-13 | — | — | US | disclosed |
| US-20040266664-A1 | Enzyme inhibition | YALE UNIVERSITY | 2004-12-30 | — | — | US | disclosed |
| US-6831099-B1 | Irreversible inhibitors distinct from those reagents currently; antitumor, anti-inflammatory; peptide alpha ', beta '-epoxides and peptide alpha ', beta '-aziridines | YALE UNIVERSITY | 2004-12-14 | — | — | US | disclosed |