⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16253345 | 0.81 | — | — | |
| SCHEMBL16249370 | 0.79 | — | — | |
| SCHEMBL13829689 | 0.76 | — | — | |
| SCHEMBL18592719 | 0.74 | CYP2D6 (0.35) | — | |
| SCHEMBL18592713 | 0.74 | CYP2D6 (0.35) | — | |
| SCHEMBL9963122 | 0.74 | CYP2D6 (0.35) | — | |
| SCHEMBL16249378 | 0.73 | — | — | |
| SCHEMBL16249374 | 0.71 | — | — | |
| SCHEMBL16249372 | 0.71 | — | — | |
| SCHEMBL16249376 | 0.69 | CHRNA1 (0.33) | — |
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 |