⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14536462 | 0.91 | CYP2C19 (0.31) | — | |
| SCHEMBL14139394 | 0.81 | — | — | |
| SCHEMBL14139353 | 0.81 | — | — | |
| SCHEMBL8965920 | 0.79 | — | — | |
| SCHEMBL24541939 | 0.78 | CYP2C19 (0.36) | — | |
| SCHEMBL14536467 | 0.78 | CYP2C19 (0.36) | — | |
| SCHEMBL10697164 | 0.74 | — | — | |
| SCHEMBL19512652 | 0.73 | SOS1 (0.31) | — | |
| SCHEMBL24958339 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL9178966 | 0.71 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012098387-A1 | 6, 7-RING-FUSED TRIAZOLO [4, 3 - B] PYRIDAZINE DERIVATIVES AS PIM INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2012-07-26 | — | — | WO | disclosed |