⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10484700 | 0.78 | FFAR3 (0.32) | — | |
| SCHEMBL21382759 | 0.71 | INMT (0.32) | — | |
| SCHEMBL5889021 | 0.70 | ACE (0.30) | — | |
| SCHEMBL10818617 | 0.68 | L3MBTL1 (0.38) | — | |
| SCHEMBL10519536 | 0.67 | L3MBTL1 (0.41) | — | |
| SCHEMBL396911 | 0.67 | L3MBTL1 (0.41) | — | |
| SCHEMBL11279035 | 0.66 | SLC18A3 (0.31) | — | |
| SCHEMBL28384679 | 0.65 | L3MBTL1 (0.46) | — | |
| SCHEMBL5061241 | 0.65 | L3MBTL1 (0.35) | — | |
| SCHEMBL9056777 | 0.64 | L3MBTL1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996002241-A9 | USE OF NITROGEN OXIDE SPECIES AND ADDUCTS TO INHIBIT SKELETAL MUSCLE CONTRACTION | — | 1996-02-29 | — | — | WO | claimed |
| WO-1996003139-A1 | USE OF NITRIC OXIDE OR NITRIC OXIDE ADDUCTS TO PRESERVE PLATELETS | DUKE UNIVERSITY (US) | 1996-02-08 | — | — | WO | claimed |
| WO-1996002241-A1 | USE OF NITROGEN OXIDE SPECIES AND ADDUCTS TO INHIBIT SKELETAL MUSCLE CONTRACTION | DUKE UNIVERSITY (US) | 1996-02-01 | — | — | WO | claimed |