⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20561166 | 1.00 | — | — | |
| SCHEMBL6876219 | 0.93 | — | — | |
| SCHEMBL6876223 | 0.93 | — | — | |
| SCHEMBL10070969 | 0.73 | — | — | |
| SCHEMBL7623417 | 0.73 | — | — | |
| SCHEMBL18377911 | 0.71 | FKBP5 (0.39) | — | |
| SCHEMBL7627634 | 0.71 | — | — | |
| SCHEMBL7046289 | 0.71 | — | — | |
| SCHEMBL10628215 | 0.69 | CHRM2 (0.33) | — | |
| SCHEMBL12129960 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180334435-A1 | 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE | ABBVIE INC. | 2018-11-22 | — | — | US | disclosed |
| EP-1591443-B1 | PYRAZOLE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2010-08-25 | — | — | EP | disclosed |
| US-7622471-B2 | Pyrazole derivatives having a pyridazine and pyridine functionality | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2009-11-24 | — | — | US | disclosed |
| US-20060189591-A1 | Five-membered heterocyclic derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-08-24 | — | — | US | disclosed |
| US-20060128685-A1 | Pyrazole derivative | DAIICHI PHARMACEUTICAL CO., LTD., (JP) | 2006-06-15 | — | — | US | disclosed |
| CN-1774435-A | 5-membered heterocyclic derivative | DAIICHI SEIYAKU CO (JP) | 2006-05-17 | — | — | CN | disclosed |
| EP-1621537-A1 | FIVE-MEMBERED HETEROCYCLIC DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-02-01 | — | — | EP | disclosed |
| EP-1591443-A1 | PYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-11-02 | — | — | EP | disclosed |
| EP-0202048-A1 | Carbapenem derivatives, their preparation, and pharmaceutical compositions containing them | SANKYO COMPANY LIMITED (JP) | 1986-11-20 | — | — | EP | disclosed |