⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21358193 | 0.93 | POLB (0.32) | — | |
| SCHEMBL21366937 | 0.86 | ATM (0.32) | — | |
| SCHEMBL22118726 | 0.82 | TP53 (0.40) | — | |
| SCHEMBL31367114 | 0.82 | TP53 (0.40) | — | |
| SCHEMBL21367041 | 0.82 | TP53 (0.40) | — | |
| SCHEMBL22968676 | 0.81 | — | — | |
| SCHEMBL21366800 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL21359893 | 0.78 | MAPK1 (0.30) | — | |
| SCHEMBL21359985 | 0.75 | — | — | |
| SCHEMBL21366794 | 0.73 | ALDH1A1 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3897622-A1 | ARGINASE INHIBITORS AND METHODS OF USE | Merck Sharp & Dohme Corp. (US) | 2021-10-27 | — | — | EP | disclosed |
| EP-3765006-A1 | ARGINASE INHIBITORS AND METHODS OF USE | Merck Sharp&Dohme Corp. (US) | 2021-01-20 | — | — | EP | disclosed |
| WO-2020131598-A1 | ARGINASE INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME CORP. (US) | 2020-06-25 | — | — | WO | disclosed |
| WO-2019177873-A1 | ARGINASE INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME CORP. (US) | 2019-09-19 | — | — | WO | disclosed |