⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2536587 | 0.77 | — | — | |
| SCHEMBL15387012 | 0.77 | — | — | |
| SCHEMBL19090749 | 0.75 | — | — | |
| SCHEMBL1191256 | 0.74 | ALDH1A1 (0.63) | — | |
| SCHEMBL9156485 | 0.74 | — | — | |
| Trimethylammonium SCHEMBL27884107 | 0.73 | PHF8 (0.41) | — | |
| SCHEMBL14967439 | 0.73 | PHF8 (0.52) | — | |
| SCHEMBL12662715 | 0.73 | KDM4E (0.48) | — | |
| SCHEMBL3300956 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL23761710 | 0.73 | ALDH1A1 (0.40) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2280945-B1 | TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-09-03 | — | — | EP | disclosed |
| US-8779158-B2 | Trisubstituted pyrazoles as acetylcholine receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2014-07-15 | — | — | US | disclosed |
| EP-2010516-B1 | TRISUBSTITUTED 1,2,4-TRIAZOLES | JANSSEN PHARMACEUTICA NV (BE) | 2014-07-02 | — | — | EP | disclosed |
| US-8143419-B2 | Trisubstituted 1,2,4-triazoles | JANSSEN PHARMACEUTICA N. V. (BE) | 2012-03-27 | — | — | US | disclosed |
| US-20110065683-A1 | TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-03-17 | — | — | US | disclosed |
| EP-2280945-A1 | TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS | Janssen Pharmaceutica, N.V. (BE) | 2011-02-09 | — | — | EP | disclosed |
| WO-2009135944-A1 | TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2009-11-12 | — | — | WO | disclosed |
| US-20090253691-A1 | TRISUBSTITUTED 1,2,4-TRIAZOLES | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-10-08 | — | — | US | disclosed |
| EP-0240001-B1 | 2-PYRAZOLIN-5-ONES AND A PROCESS FOR PRODUCTION THEREOF | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-07-29 | — | — | EP | disclosed |
| US-4931565-A | CYCLIZATION OF A HYDRAZONE DERIVATIVE | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1990-06-05 | — | — | US | disclosed |
| EP-0240001-A1 | 2-Pyrazolin-5-ones and a process for production thereof | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1987-10-07 | — | — | EP | disclosed |