⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1683908 | 0.78 | — | — | |
| SCHEMBL19757233 | 0.78 | — | — | |
| SCHEMBL934983 | 0.73 | — | — | |
| SCHEMBL4041737 | 0.73 | — | — | |
| SCHEMBL1700632 | 0.72 | — | — | |
| SCHEMBL2777248 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL14126554 | 0.71 | — | — | |
| SCHEMBL20002323 | 0.71 | — | — | |
| SCHEMBL14431466 | 0.70 | — | — | |
| SCHEMBL17684061 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118488947-A | Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof | 劲方医药科技(上海)有限公司 | 2024-08-13 | — | — | CN | disclosed |
| US-20230250096-A1 | SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2023-08-10 | — | — | US | disclosed |
| CN-107709295-B | Tricyclic sulfones as ROR gamma modulators | 百时美施贵宝公司 | 2021-05-04 | — | — | CN | disclosed |
| EP-3728257-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | Fronthera U.S. Pharmaceuticals LLC (US) | 2020-10-28 | — | — | EP | disclosed |
| WO-2019228403-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | FRONTHERA U.S. PHARMACEUTICALS LLC (US) | 2019-12-05 | — | — | WO | disclosed |