⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14307770 | 0.83 | — | — | |
| SCHEMBL24302865 | 0.76 | — | — | |
| SCHEMBL19013114 | 0.74 | — | — | |
| SCHEMBL14161576 | 0.70 | — | — | |
| SCHEMBL23592984 | 0.68 | — | — | |
| SCHEMBL8265755 | 0.65 | — | — | |
| SCHEMBL17779407 | 0.64 | — | — | |
| SCHEMBL12562544 | 0.60 | MRGPRX2 (0.35) | — | |
| SCHEMBL282610 | 0.58 | — | — | |
| SCHEMBL14613264 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008141077-A1 | PROCESS FOR THE PREPARATION OF TETRAHYDROQUINOLINYL, BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-11-20 | — | — | WO | disclosed |
| WO-2008079427-A1 | 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-07-03 | — | — | WO | disclosed |
| WO-2007134149-A2 | 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-11-22 | — | — | WO | disclosed |