⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9191738 | 0.83 | — | — | |
| SCHEMBL2225346 | 0.79 | CHRM3 (0.32) | — | |
| SCHEMBL502946 | 0.71 | — | — | |
| SCHEMBL13196216 | 0.71 | — | — | |
| SCHEMBL1646118 | 0.71 | — | — | |
| SCHEMBL11070794 | 0.70 | — | — | |
| SCHEMBL31051671 | 0.69 | MEN1 (0.46) | — | |
| SCHEMBL18283317 | 0.68 | — | — | |
| SCHEMBL6809705 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL11070373 | 0.68 | — | — |
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-2012074168-A1 | METHOD FOR PREPARING METHYL-4-HYDROXYIMINOBENZOATE | 에스케이유화 주식회사 (KR) | 2012-06-07 | — | — | WO | disclosed |