⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19920692 | 0.83 | — | — | |
| SCHEMBL765795 | 0.80 | — | — | |
| SCHEMBL22624055 | 0.79 | — | — | |
| SCHEMBL14899025 | 0.70 | — | — | |
| SCHEMBL345669 | 0.70 | — | — | |
| SCHEMBL14899026 | 0.69 | DPP4 (0.30) | — | |
| SCHEMBL19451124 | 0.69 | — | — | |
| SCHEMBL873936 | 0.69 | DPP4 (0.30) | — | |
| SCHEMBL20447536 | 0.67 | — | — | |
| SCHEMBL12312471 | 0.67 | GAA (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022140169-A1 | PREPARATION OF TETRAHYDROINDAZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2022-06-30 | — | — | WO | disclosed |