⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22169538 | 0.72 | — | — | |
| SCHEMBL19673000 | 0.71 | — | — | |
| SCHEMBL20454598 | 0.70 | — | — | |
| SCHEMBL19773435 | 0.69 | — | — | |
| SCHEMBL19935531 | 0.64 | — | — | |
| SCHEMBL12510882 | 0.64 | — | — | |
| SCHEMBL4296685 | 0.63 | — | — | |
| SCHEMBL12664130 | 0.62 | — | — | |
| SCHEMBL19829401 | 0.61 | PTPN1 (0.31) | — | |
| SCHEMBL19439807 | 0.58 | PTPN1 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024076670-A2 | TETHERED HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF | AMGEN INC. (US) | 2024-04-11 | — | — | WO | disclosed |
| US-20140349989-A1 | COMPOUNDS AND THERAPEUTIC USES THEREOF | ALZHEIMER'S INSTITUTE OF AMERICA (US) | 2014-11-27 | — | — | US | disclosed |
| US-7842692-B2 | Azaindole derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2010-11-30 | — | — | US | disclosed |
| US-20090197881-A1 | Azaindole Derivative Having PGD2 Receptor Antagonistic Activity | SHIONOGI & CO., LTD. (JP) | 2009-08-06 | — | — | US | disclosed |