⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1642847 | 1.00 | — | — | |
| SCHEMBL16195856 | 0.89 | — | — | |
| SCHEMBL14908935 | 0.84 | CHRM1 (0.35) | — | |
| SCHEMBL14908934 | 0.84 | CHRM1 (0.35) | — | |
| SCHEMBL18342420 | 0.82 | — | — | |
| SCHEMBL14909415 | 0.82 | SLC1A3 (0.31) | — | |
| SCHEMBL18342421 | 0.82 | — | — | |
| SCHEMBL15413518 | 0.82 | — | — | |
| SCHEMBL14909417 | 0.82 | SLC1A3 (0.31) | — | |
| SCHEMBL14909473 | 0.82 | SLC1A3 (0.31) | — |
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-2589592-B1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM CORP (JP) | 2018-08-22 | — | — | EP | disclosed |
| EP-2782903-B1 | NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN | HOFFMANN LA ROCHE (CH) | 2016-04-06 | — | — | EP | disclosed |
| US-9040534-B2 | [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators | JANSSEN PHARMACEUTICA NV (BE) | 2015-05-26 | — | — | US | disclosed |
| US-8895585-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2014-11-25 | — | — | US | disclosed |
| US-20140275096-A1 | P2X7 MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-09-18 | — | — | US | disclosed |
| US-8809371-B2 | — | — | 2014-08-19 | — | — | US | disclosed |
| US-8772320-B2 | — | — | 2014-07-08 | — | — | US | disclosed |
| US-8729061-B2 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-05-20 | — | — | US | disclosed |
| US-20130137687-A1 | NOVEL PYRROLIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-05-30 | — | — | US | disclosed |
| US-20130116430-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2013-05-09 | — | — | US | disclosed |
| EP-2589592-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM Corporation (JP) | 2013-05-08 | — | — | EP | disclosed |