⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL740114 | 0.84 | AKR1B1 (0.56) | — | |
| Succinic Acid SCHEMBL50511 | 0.78 | FFAR3 (0.77) | — | |
| SCHEMBL11593425 | 0.77 | AKR1B1 (0.54) | — | |
| Succinic Acid SCHEMBL28184121 | 0.75 | LMNA (0.75) | — | |
| SCHEMBL11799341 | 0.74 | LMNA (0.53) | — | |
| SCHEMBL11242748 | 0.74 | — | — | |
| Succinic Acid SCHEMBL143984 | 0.73 | FFAR3 (0.67) | — | |
| Succinic Acid SCHEMBL6417713 | 0.73 | LMNA (0.71) | — | |
| Succinic Acid SCHEMBL2363993 | 0.72 | FFAR3 (0.73) | — | |
| Succinic Acid SCHEMBL80940 | 0.72 | LMNA (0.69) | — |
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-1084104-A1 | NITRIC OXIDE SYNTHASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062875-A1 | NITRIC OXIDE SYNTHASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 1999-12-09 | — | — | WO | disclosed |