⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6672251 | 0.80 | — | — | |
| SCHEMBL18769296 | 0.78 | EPHX1 (0.33) | — | |
| SCHEMBL13059284 | 0.74 | EPHX1 (0.38) | — | |
| SCHEMBL18678587 | 0.74 | EPHX1 (0.38) | — | |
| SCHEMBL15107729 | 0.73 | — | — | |
| SCHEMBL9376104 | 0.72 | EPHX1 (0.50) | — | |
| SCHEMBL12060473 | 0.71 | — | — | |
| SCHEMBL2051111 | 0.71 | — | — | |
| SCHEMBL14050270 | 0.71 | — | — | |
| SCHEMBL4361849 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3126366-B1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND 2,3-DIHYDRO-1H-IMIDAZO[1,2-B]PYRAZOLE DERIVATIVES AS ROS1 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-06-06 | — | — | EP | disclosed |