⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16874932 | 0.85 | — | — | |
| SCHEMBL9843735 | 0.78 | — | — | |
| SCHEMBL22590736 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL9891381 | 0.76 | PRKD3 (0.32) | — | |
| SCHEMBL22590734 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL15150968 | 0.74 | ZDHHC7 (0.38) | — | |
| SCHEMBL352688 | 0.74 | — | — | |
| SCHEMBL4544771 | 0.74 | — | — | |
| SCHEMBL4009626 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL1970500 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000044731-A1 | NOVEL HYDROXYAMIDINO CARBOXYLATE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-08-03 | — | — | WO | disclosed |