⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24045309 | 0.83 | KDM4E (0.32) | — | |
| SCHEMBL27522020 | 0.78 | — | — | |
| SCHEMBL24295907 | 0.77 | — | — | |
| SCHEMBL8314317 | 0.77 | — | — | |
| SCHEMBL27513169 | 0.77 | SHBG (0.33) | — | |
| SCHEMBL10082259 | 0.74 | — | — | |
| SCHEMBL23103575 | 0.71 | CHRM2 (0.35) | — | |
| SCHEMBL24595241 | 0.71 | LMNA (0.31) | — | |
| SCHEMBL6876248 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL8052553 | 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 2 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-2020245664-A1 | N-(5-(6-ETHOXYPYRAZIN-2-YL)PYRIDIN-2-YL)-4-(2-(METHYLSULFONAMIDO)PYRIMIDIN-4-YL) TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HUMAN CTPS1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | STEP PHARMA S.A.S. (FR) | 2020-12-10 | — | — | WO | disclosed |