⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21720018 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL20518476 | 0.71 | MEN1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL29243780 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL8801478 | 0.67 | LOXL2 (0.40) | — | |
| SCHEMBL31532376 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL7841754 | 0.64 | — | — | |
| SCHEMBL14039906 | 0.64 | — | — | |
| Perchlorate SCHEMBL30215899 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL5088962 | 0.60 | — | — | |
| SCHEMBL17946249 | 0.59 | KMT2A (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-121471148-A | 2-Iodo-N-trifluoromethyl imidazole derivative and preparation method thereof | 中山大学 | 2026-02-06 | — | — | CN | disclosed |
| CN-121471148-A | 2-Iodo-N-trifluoromethyl imidazole derivative and preparation method thereof | 中山大学 | 2026-02-06 | — | — | CN | disclosed |