⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5276371 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL107616 | 0.73 | — | — | |
| SCHEMBL5207934 | 0.73 | — | — | |
| SCHEMBL27577885 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL14128906 | 0.73 | — | — | |
| SCHEMBL27572585 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL27484358 | 0.71 | — | — | |
| Methane SCHEMBL28312214 | 0.71 | — | — | |
| SCHEMBL4196105 | 0.71 | — | — | |
| SCHEMBL7875334 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050159363-A1 | Selective neuronal nitric oxide synthase inhibitors | SILVERMAN RICHARD B (US) | 2005-07-21 | — | — | US | claimed |
| US-6803486-B2 | PEPTIDOMIMETIC; N-AMINOBUTYL-N'-NITROGUANIDINE DERIVATIVES | NORTHWESTERN UNIVERSITY | 2004-10-12 | — | — | US | claimed |
| US-20030119751-A1 | Selective neuronal nitric oxide synthase inhibitors | NORTHWESTERN UNIVERSITY | 2003-06-26 | — | — | US | claimed |
| WO-2003000198-A2 | SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS | NORTHWESTERN UNIVERSITY (US) | 2003-01-03 | — | — | WO | claimed |
| US-7470815-B1 | Selective neuronal nitric oxide synthase inhibitors | NORTHWESTERN UNIVERSITY (US) | 2008-12-30 | — | — | US | disclosed |
| US-20050159363-A1 | Selective neuronal nitric oxide synthase inhibitors | SILVERMAN RICHARD B (US) | 2005-07-21 | — | — | US | disclosed |
| US-6803486-B2 | PEPTIDOMIMETIC; N-AMINOBUTYL-N'-NITROGUANIDINE DERIVATIVES | NORTHWESTERN UNIVERSITY | 2004-10-12 | — | — | US | disclosed |
| US-20030119751-A1 | Selective neuronal nitric oxide synthase inhibitors | NORTHWESTERN UNIVERSITY | 2003-06-26 | — | — | US | disclosed |
| WO-2003000198-A2 | SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS | NORTHWESTERN UNIVERSITY (US) | 2003-01-03 | — | — | WO | disclosed |