⚠ 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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL7103207 | 0.64 | CA5A (0.35) | — | |
| SCHEMBL327478 | 0.61 | — | — | |
| SCHEMBL168340 | 0.61 | — | — | |
| SCHEMBL6971682 | 0.61 | — | — | |
| SCHEMBL11531859 | 0.61 | — | — | |
| SCHEMBL2489867 | 0.61 | MEN1 (0.38) | — | |
| SCHEMBL6971689 | 0.61 | — | — | |
| SCHEMBL27533732 | 0.61 | — | — | |
| SCHEMBL367168 | 0.59 | — | — | |
| SCHEMBL17206269 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120232257-A1 | Novel Method for Directly Nitration of OH-, SH-and NHR-Functions in Organic Molecules by Means of in Situ Generated Carbonic Acid Dinitrate | SYNOVO GMBH (DE) | 2012-09-13 | — | — | US | claimed |
| EP-0793656-B1 | NOVEL BENZYL PYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2003-03-26 | — | — | EP | claimed |
| US-6696477-B2 | AS ANTIINFLAMMATORY AGENTS | PHARMACIA CORPORATION | 2004-02-24 | — | — | US | disclosed |
| US-20020058810-A1 | Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors | PHARMACIA CORPORATION | 2002-05-16 | — | — | US | disclosed |