⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6431074 | 0.78 | SIGMAR1 (0.36) | — | |
| SCHEMBL8261443 | 0.78 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL6431806 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL6430053 | 0.71 | LMNA (0.41) | — | |
| SCHEMBL2100257 | 0.71 | HTR7 (0.30) | — | |
| SCHEMBL6431060 | 0.71 | DRD4 (0.41) | — | |
| SCHEMBL6428861 | 0.68 | — | — | |
| SCHEMBL5677569 | 0.68 | ALDH1A1 (0.49) | — | |
| SCHEMBL5676023 | 0.68 | KDM4E (0.46) | — | |
| SCHEMBL6429219 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1126838-A4 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-02-16 | — | — | EP | claimed |
| JP-2002528495-A | — | — | 2002-09-03 | — | — | JP | claimed |
| EP-1126838-A1 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000025776-A1 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2000-05-11 | — | — | WO | claimed |