⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13057619 | 1.00 | — | — | |
| SCHEMBL17473229 | 1.00 | — | — | |
| SCHEMBL5200469 | 0.77 | — | — | |
| SCHEMBL106930 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL13773120 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL13773133 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL25917 | 0.74 | — | — | |
| SCHEMBL13573065 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL21031 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL5898985 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230174521-A1 | NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-06-08 | — | — | US | disclosed |
| WO-2021236405-A1 | NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2021-11-25 | — | — | WO | disclosed |
| US-9353066-B2 | Substituted phenyl-Spleen Tyrosine Kinase (Syk) inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-05-31 | — | — | US | disclosed |
| US-20150232428-A1 | SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS | MERCK CANADA INC. (CA) | 2015-08-20 | — | — | US | disclosed |