⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1797068 | 0.71 | — | — | |
| SCHEMBL8887344 | 0.71 | — | — | |
| SCHEMBL20856332 | 0.69 | TBXAS1 (0.32) | — | |
| SCHEMBL20856330 | 0.69 | TBXAS1 (0.32) | — | |
| SCHEMBL22393246 | 0.64 | XPO1 (0.33) | — | |
| SCHEMBL22393247 | 0.64 | XPO1 (0.33) | — | |
| SCHEMBL28527838 | 0.63 | — | — | |
| Benzene SCHEMBL8002830 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL8104042 | 0.61 | — | — | |
| SCHEMBL29023654 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115572269-A | N-trifluoro isopropyl azole and indole compound and preparation method thereof | 广州大学 | 2023-01-06 | — | — | CN | claimed |
| CN-115572269-B | N-trifluoro isopropyl azole and indole compound and preparation method thereof | 广州大学 | 2024-05-17 | — | — | CN | disclosed |
| CN-115572269-A | N-trifluoro isopropyl azole and indole compound and preparation method thereof | 广州大学 | 2023-01-06 | — | — | CN | disclosed |