⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20101 | 0.96 | — | — | |
| SCHEMBL29128090 | 0.92 | — | — | |
| SCHEMBL21963628 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL16412643 | 0.92 | — | — | |
| Fluoride SCHEMBL27546441 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3507001 | 0.89 | — | — | |
| Methyl Alcohol SCHEMBL20524670 | 0.89 | — | — | |
| Methylamine SCHEMBL16431924 | 0.89 | — | — | |
| Isopropyl Alcohol SCHEMBL825393 | 0.86 | ALDH1A1 (0.40) | — | |
| Ethylene Glycol SCHEMBL7215919 | 0.83 | TSHR (0.39) | — |
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-1772379-A | Copper catalyst for vapor catalytic dehydrogenation of methyl isobutyl alcohol and its prepn process and application method | UNIV ZHEJIANG (CN) | 2006-05-17 | — | — | CN | claimed |