⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL246902 | 0.76 | — | — | |
| Methenamine SCHEMBL1628063 | 0.71 | KDM4E (0.31) | — | |
| Methenamine SCHEMBL33785 | 0.66 | KDM4E (0.33) | — | |
| Methenamine SCHEMBL10950212 | 0.66 | KDM4E (0.33) | — | |
| Methenamine SCHEMBL350540 | 0.66 | KDM4E (0.33) | — | |
| SCHEMBL957824 | 0.65 | — | — | |
| Methenamine SCHEMBL11713558 | 0.62 | KDM4E (0.35) | — | |
| Methenamine SCHEMBL1626497 | 0.61 | KDM4E (0.31) | — | |
| Methenamine SCHEMBL10628727 | 0.61 | KDM4E (0.31) | — | |
| Methenamine SCHEMBL621868 | 0.61 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1415982-A1 | Halogenated amidino amino acid derivatives useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2004-05-06 | — | — | EP | disclosed |
| US-6344483-B1 | Halogenated amidino amino acid deviratives useful as nitric oxide synthase inhibitors | G. D. SEARLE & CO. | 2002-02-05 | — | — | US | disclosed |