⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3069831 | 0.87 | NCF1 (0.34) | — | |
| SCHEMBL3687654 | 0.76 | KCNH2 (0.37) | — | |
| SCHEMBL5254382 | 0.76 | KCNH2 (0.51) | — | |
| SCHEMBL2539639 | 0.75 | KCNH2 (0.37) | — | |
| SCHEMBL2540548 | 0.75 | KCNH2 (0.37) | — | |
| SCHEMBL5516466 | 0.72 | KCNH2 (0.42) | — | |
| SCHEMBL1267174 | 0.71 | KCNH2 (0.36) | — | |
| SCHEMBL3066931 | 0.70 | ACVR1 (0.35) | — | |
| SCHEMBL3062199 | 0.70 | MAP4K4 (0.37) | — | |
| SCHEMBL3063681 | 0.69 | GRIN2B (0.44) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8242275-B2 | Bicyclic pyrazole compounds as antibacterial agents | JANSSEN PHARMACEUTICA NV (BE) | 2012-08-14 | — | — | US | claimed |
| US-20100280240-A1 | BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS | ALLISON BRETT D | 2010-11-04 | — | — | US | claimed |
| US-20060223810-A1 | Bicyclic pyrazole compounds as antibacterial agents | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-10-05 | — | — | US | claimed |
| US-8242275-B2 | Bicyclic pyrazole compounds as antibacterial agents | JANSSEN PHARMACEUTICA NV (BE) | 2012-08-14 | — | — | US | disclosed |
| US-8232391-B2 | Bicyclic pyrazole compounds as antibacterial agents | JANSSEN PHARMACEUTICA NV (BE) | 2012-07-31 | — | — | US | disclosed |
| US-7842810-B2 | 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-amide | JANSSEN PHARMACEUTICA, NV (BE) | 2010-11-30 | — | — | US | disclosed |
| US-20100280240-A1 | BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS | ALLISON BRETT D | 2010-11-04 | — | — | US | disclosed |
| US-20100274005-A1 | BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS | ALLISON BRETT D | 2010-10-28 | — | — | US | disclosed |
| US-20100274004-A1 | BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS | ALLISON BRETT D | 2010-10-28 | — | — | US | disclosed |
| EP-1863483-A1 | BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS | Janssen Pharmaceutica, N.V. (BE) | 2007-12-12 | — | — | EP | disclosed |
| US-20060223810-A1 | Bicyclic pyrazole compounds as antibacterial agents | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-10-05 | — | — | US | disclosed |
| WO-2006105289-A1 | BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-10-05 | — | — | WO | disclosed |