⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15272787 | 0.90 | — | — | |
| SCHEMBL2357982 | 0.75 | — | — | |
| SCHEMBL16767665 | 0.67 | — | — | |
| SCHEMBL8220843 | 0.65 | — | — | |
| SCHEMBL1140868 | 0.64 | — | — | |
| SCHEMBL156065 | 0.64 | — | — | |
| SCHEMBL4777824 | 0.64 | — | — | |
| SCHEMBL1360118 | 0.63 | ARG1 (0.49) | — | |
| SCHEMBL1360119 | 0.63 | ARG1 (0.49) | — | |
| SCHEMBL2080965 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002088068-A | 2-ALKYL-PERHYDRO-1,3-DIAZIN-2-OL AND METHOD FOR PRODUCING THE SAME | KOEI CHEM CO LTD | 2002-03-27 | — | — | JP | disclosed |