⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL452245 | 0.74 | — | — | |
| SCHEMBL75111 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL3301649 | 0.67 | — | — | |
| SCHEMBL3813542 | 0.67 | FDPS (0.31) | — | |
| SCHEMBL11214348 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL27393 | 0.65 | — | — | |
| SCHEMBL43019 | 0.65 | ALDH1A1 (0.53) | — | |
| SCHEMBL679132 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL23244605 | 0.63 | — | — | |
| Bromide SCHEMBL17824162 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7883714-B2 | (2R)-2,3-bis(nitrooxy)propyl(2S)-2(6-methoxy(2-naphthyl)propanoate, used for treating inflammation, pain and fever; gastrointestinal disorders; wound healing agents; preventing gastrointestinal, renal and/or respiratory toxicities; side effect reduction; kits | NICOX S.A. (FR) | 2011-02-08 | — | — | US | disclosed |
| US-20100093708-A1 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NICOX SA (FR) | 2010-04-15 | — | — | US | disclosed |