⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9164438 | 0.76 | — | — | |
| SCHEMBL27042187 | 0.76 | — | — | |
| SCHEMBL27041685 | 0.76 | GPR84 (0.50) | — | |
| SCHEMBL29413984 | 0.74 | — | — | |
| Acetic Acid SCHEMBL31668831 | 0.74 | GPR84 (0.62) | — | |
| SCHEMBL8712760 | 0.73 | GPR84 (0.56) | — | |
| SCHEMBL9134716 | 0.72 | DAO (0.44) | — | |
| SCHEMBL27856952 | 0.71 | GPR84 (0.46) | — | |
| SCHEMBL28192196 | 0.71 | GPR84 (0.46) | — | |
| SCHEMBL11504164 | 0.70 | GPR84 (0.44) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250388543-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2025-12-25 | — | — | US | claimed |
| US-20250388543-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2025-12-25 | — | — | US | disclosed |
| US-20210276991-A1 | CARDIAC SARCOMERE INHIBITORS | CYTOKINETICS, INC. | 2021-09-09 | — | — | US | disclosed |
| EP-2498780-B1 | N-9-SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2016-09-07 | — | — | EP | disclosed |
| EP-2318377-B1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH INC (US) | 2013-08-21 | — | — | EP | disclosed |
| US-20100331305-A1 | OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-12-30 | — | — | US | disclosed |