⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16249374 | 0.86 | — | — | |
| SCHEMBL16249372 | 0.86 | — | — | |
| SCHEMBL16253344 | 0.84 | — | — | |
| SCHEMBL22962311 | 0.78 | CYP2D6 (0.35) | — | |
| SCHEMBL22962292 | 0.78 | CYP2D6 (0.35) | — | |
| SCHEMBL22962266 | 0.78 | CYP2D6 (0.35) | — | |
| SCHEMBL13829978 | 0.78 | — | — | |
| SCHEMBL16249370 | 0.77 | — | — | |
| SCHEMBL16249369 | 0.73 | — | — | |
| SCHEMBL12563459 | 0.70 | CYP2D6 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8889704-B2 | Triazolopyridine compounds as PIM kinase inhibitors | ARRAY BIOPHARMA INC. (US) | 2014-11-18 | — | — | US | disclosed |