⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2448684 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL8329582 | 0.78 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL29814955 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL607689 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL16914724 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL385 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL890876 | 0.78 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL29500440 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL10729977 | 0.78 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL25227904 | 0.72 | ALDH1A1 (0.86) | — |
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-109851614-B | Heterocyclic peptide deformylase inhibitor and preparation method and application thereof | 中山大学（CN） | 2023-01-13 | — | — | CN | disclosed |