⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL11222759 | 0.69 | MAPT (0.31) | — | |
| SCHEMBL16652572 | 0.69 | — | — | |
| SCHEMBL23407903 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL13447535 | 0.65 | HPGD (0.31) | — | |
| SCHEMBL1767352 | 0.65 | — | — | |
| SCHEMBL5355629 | 0.65 | — | — | |
| SCHEMBL11837712 | 0.63 | — | — | |
| SCHEMBL935020 | 0.62 | — | — | |
| SCHEMBL633120 | 0.62 | MCHR1 (0.32) | — | |
| SCHEMBL12438852 | 0.62 | MCHR1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110997612-A | Iron-catalyzed cross-coupling of methanol with secondary or tertiary alcohols to produce formates | 伊士曼化工公司 | 2020-04-10 | — | — | CN | disclosed |