⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL924326 | 0.85 | — | — | |
| Formic Acid SCHEMBL28896728 | 0.82 | — | — | |
| Formamide SCHEMBL28800527 | 0.82 | — | — | |
| SCHEMBL5624661 | 0.74 | — | — | |
| SCHEMBL1023690 | 0.74 | — | — | |
| SCHEMBL9988508 | 0.73 | EPHX1 (0.37) | — | |
| SCHEMBL8952123 | 0.72 | LMNA (0.40) | — | |
| SCHEMBL3418706 | 0.72 | HTT (0.41) | — | |
| Carbamic Acid SCHEMBL27610863 | 0.71 | ACHE (0.32) | — | |
| Carbamic Acid SCHEMBL5967558 | 0.71 | GABRP (0.33) | — |
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-117529476-A | Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments | 亚飞络思制药公司 | 2024-02-06 | — | — | CN | disclosed |