⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14977996 | 0.93 | — | — | |
| SCHEMBL5744738 | 0.93 | INMT (0.33) | — | |
| SCHEMBL5749540 | 0.85 | INMT (0.30) | — | |
| SCHEMBL14978013 | 0.83 | — | — | |
| SCHEMBL5749814 | 0.81 | INMT (0.33) | — | |
| SCHEMBL14978003 | 0.79 | — | — | |
| SCHEMBL5750574 | 0.78 | INMT (0.39) | — | |
| SCHEMBL5744734 | 0.78 | — | — | |
| SCHEMBL14977993 | 0.76 | — | — | |
| SCHEMBL5747811 | 0.74 | INMT (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8450478-B2 | Cyclic guanidine ionic liquid | NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) | 2013-05-28 | — | — | US | disclosed |