⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21806803 | 0.88 | DGAT1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL18988896 | 0.80 | DGAT1 (0.30) | — | |
| SCHEMBL15612914 | 0.69 | — | — | |
| SCHEMBL22395766 | 0.66 | DGAT1 (0.31) | — | |
| SCHEMBL21533191 | 0.63 | — | — | |
| SCHEMBL13684643 | 0.63 | — | — | |
| SCHEMBL27870565 | 0.63 | — | — | |
| SCHEMBL20899790 | 0.63 | — | — | |
| SCHEMBL20899726 | 0.61 | DGAT1 (0.37) | — | |
| SCHEMBL21789658 | 0.61 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240025917-A1 | PLASMA KALLIKREIN INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2024-01-25 | — | — | US | disclosed |
| US-20240025917-A1 | PLASMA KALLIKREIN INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2024-01-25 | — | — | US | disclosed |
| CN-116917293-A | Plasma kallikrein inhibitors | 默沙东有限责任公司 | 2023-10-20 | — | — | CN | disclosed |
| US-20230303540-A1 | 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-09-28 | — | — | US | disclosed |
| EP-4247372-A1 | PLASMA KALLIKREIN INHIBITORS | Merck Sharp & Dohme LLC (US) | 2023-09-27 | — | — | EP | disclosed |
| WO-2022109161-A1 | PLASMA KALLIKREIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2022-05-27 | — | — | WO | disclosed |
| WO-2022109161-A1 | PLASMA KALLIKREIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2022-05-27 | — | — | WO | disclosed |
| WO-2022051337-A1 | 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2022-03-10 | — | — | WO | disclosed |
| WO-2020081682-A1 | DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-04-23 | — | — | WO | disclosed |