⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23406576 | 0.85 | — | — | |
| SCHEMBL23406577 | 0.85 | — | — | |
| SCHEMBL21359998 | 0.83 | — | — | |
| SCHEMBL21359905 | 0.83 | — | — | |
| SCHEMBL21358116 | 0.83 | FAAH (0.30) | — | |
| SCHEMBL23406421 | 0.83 | FAAH (0.30) | — | |
| SCHEMBL21358531 | 0.83 | FAAH (0.30) | — | |
| SCHEMBL21359857 | 0.83 | FAAH (0.30) | — | |
| SCHEMBL21358030 | 0.83 | FAAH (0.30) | — | |
| SCHEMBL21602036 | 0.83 | PTPN1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3765006-A1 | ARGINASE INHIBITORS AND METHODS OF USE | Merck Sharp&Dohme Corp. (US) | 2021-01-20 | — | — | EP | disclosed |
| WO-2019177873-A1 | ARGINASE INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME CORP. (US) | 2019-09-19 | — | — | WO | disclosed |