⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL78087 | 0.78 | — | — | |
| SCHEMBL295249 | 0.75 | — | — | |
| SCHEMBL889022 | 0.75 | — | — | |
| SCHEMBL5597209 | 0.75 | KDM4E (0.48) | — | |
| SCHEMBL10427210 | 0.74 | — | — | |
| SCHEMBL170514 | 0.74 | — | — | |
| Aceturic Acid SCHEMBL42918 | 0.73 | CTH (0.52) | — | |
| SCHEMBL21962412 | 0.73 | — | — | |
| Aceturic Acid SCHEMBL5876 | 0.73 | — | — | |
| SCHEMBL9640328 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019182942-A1 | TYROSINE-SPECIFIC FUNCTIONALIZED INSULIN AND INSULIN ANALOGS | MERCK SHARP & DOHME CORP. (US) | 2019-09-26 | — | — | WO | disclosed |
| EP-2049522-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-05-14 | — | — | EP | disclosed |