⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2551319 | 0.76 | — | — | |
| SCHEMBL3517582 | 0.76 | — | — | |
| SCHEMBL8346988 | 0.74 | — | — | |
| SCHEMBL29155560 | 0.74 | — | — | |
| SCHEMBL11001834 | 0.73 | — | — | |
| SCHEMBL20168227 | 0.72 | — | — | |
| SCHEMBL3638315 | 0.71 | — | — | |
| SCHEMBL27654940 | 0.70 | — | — | |
| SCHEMBL4971078 | 0.69 | — | — | |
| SCHEMBL11233495 | 0.69 | — | — |
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-111349044-A | Aromatic amine derivative synthesized by deconstruction of azaarene, and method and application thereof | 华南理工大学 | 2020-06-30 | — | — | CN | disclosed |