⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28180883 | 0.69 | — | — | |
| SCHEMBL28223994 | 0.67 | — | — | |
| SCHEMBL8052178 | 0.67 | — | — | |
| SCHEMBL3340980 | 0.67 | — | — | |
| SCHEMBL11246314 | 0.63 | — | — | |
| SCHEMBL6078053 | 0.63 | — | — | |
| SCHEMBL6774149 | 0.60 | — | — | |
| SCHEMBL6768379 | 0.59 | — | — | |
| SCHEMBL23692548 | 0.59 | LMNA (0.33) | — | |
| SCHEMBL2053299 | 0.58 | GAA (0.30) | — |
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-9878996-B2 | 2-imidazolyl-pyrimidine scaffolds as potent and selective inhibitors of neuronal nitric oxide synthase | NORTHWESTERN UNIVERSITY (US) | 2018-01-30 | — | — | US | disclosed |
| US-20170260165-A1 | 2-Imidazolyl-Pyrimidine Scaffolds as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase | NORTHWESTERN UNIVERSITY (US) | 2017-09-14 | — | — | US | disclosed |
| US-9701661-B2 | 2-imidazolyl-pyrimidine scaffolds as potent and selective inhibitors of neuronal nitric oxide synthase | NORTHWESTERN UNIVERSITY (US) | 2017-07-11 | — | — | US | disclosed |
| EP-3166938-A2 | 2-IMIDAZOLYL-PYRIMIDINE SCAFFOLDS AS POTENT AND SELECTIVE INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE | Northwestern University (US) | 2017-05-17 | — | — | EP | disclosed |
| WO-2016007966-A2 | 2-IMIDAZOLYL-PYRIMIDINE SCAFFOLDS AS POTENT AND SELECTIVE INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE | NORTHWESTERN UNIVERSITY (US) | 2016-01-14 | — | — | WO | disclosed |
| US-20160009690-A1 | 2-Imidazolyl-Pyrimidine Scaffolds as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase | NORTHWESTERN UNIVERSITY | 2016-01-14 | — | — | US | disclosed |