⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29109336 | 1.00 | — | — | |
| SCHEMBL29109268 | 0.91 | NOS2 (0.30) | — | |
| SCHEMBL29109265 | 0.91 | NOS2 (0.30) | — | |
| SCHEMBL19251615 | 0.84 | PIK3CD (0.33) | — | |
| SCHEMBL29109311 | 0.84 | PIK3CD (0.33) | — | |
| SCHEMBL29109321 | 0.79 | — | — | |
| SCHEMBL29109291 | 0.79 | — | — | |
| SCHEMBL30604523 | 0.79 | — | — | |
| SCHEMBL29109288 | 0.79 | — | — | |
| SCHEMBL29109318 | 0.79 | — | — |
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-117088867-A | Inhalable aromatic ring thiazide and analogue, pharmaceutical composition containing inhalable aromatic ring thiazide and analogue and application of inhalable aromatic ring thiazide and analogue in anti-inflammatory and anti-tumor | 杭州百诚医药科技股份有限公司 | 2023-11-21 | — | — | CN | disclosed |