⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10930306 | 0.78 | — | — | |
| SCHEMBL27835 | 0.75 | — | — | |
| SCHEMBL28154166 | 0.73 | — | — | |
| SCHEMBL11185123 | 0.73 | — | — | |
| SCHEMBL23226137 | 0.71 | — | — | |
| SCHEMBL11090660 | 0.70 | — | — | |
| SCHEMBL545075 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL5560769 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL26049500 | 0.69 | — | — | |
| SCHEMBL3628338 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9249107-B2 | Pyrimidine carboxamide derivatives | MAEHR HUBERT (US) | 2016-02-02 | — | — | US | disclosed |
| US-20150087665-A1 | Pyrimidine carboxamide derivatives | Maehr, Hubert (US) | 2015-03-26 | — | — | US | disclosed |
| US-8952025-B2 | Multifunctional radical quenchers and their uses | ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2015-02-10 | — | — | US | disclosed |
| US-8580805-B2 | Pyrimidine carboxamide derivatives | MAEHR HUBERT (US) | 2013-11-12 | — | — | US | disclosed |
| US-20130267546-A1 | Multifunctional Radical Quenchers and Their Uses | Arizona Board of Regents, a body corporate of the State of Arizona acting for and on behalf of Ari (US) | 2013-10-10 | — | — | US | disclosed |
| US-20120053346-A1 | Pyrimidine Carboxamide Derivatives | MAEHR HUBERT (US) | 2012-03-01 | — | — | US | disclosed |