⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8462652 | 1.00 | — | — | |
| SCHEMBL22225552 | 1.00 | — | — | |
| SCHEMBL13069521 | 0.93 | CYP1A2 (0.41) | — | |
| SCHEMBL3614853 | 0.93 | CYP1A2 (0.41) | — | |
| SCHEMBL17308764 | 0.87 | CYP1A2 (0.56) | — | |
| SCHEMBL14864952 | 0.87 | CYP1A2 (0.56) | — | |
| SCHEMBL14117939 | 0.86 | — | — | |
| SCHEMBL18660981 | 0.86 | — | — | |
| SCHEMBL6032197 | 0.86 | — | — | |
| SCHEMBL4910497 | 0.85 | CYP1A2 (0.48) | — |
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-20230117631-A1 | HPK1 ANTAGONISTS AND USES THEREOF | Nimbus Saturn, Inc. | 2023-04-20 | — | — | US | disclosed |
| US-20090318501-A1 | Piperidine derivatives as renin inhibitors | VITAE PHARMACEUTICALS, INC. | 2009-12-24 | — | — | US | disclosed |