⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1242740 | 0.73 | — | — | |
| SCHEMBL3849019 | 0.73 | — | — | |
| SCHEMBL2522520 | 0.73 | — | — | |
| SCHEMBL1538986 | 0.73 | — | — | |
| SCHEMBL2527583 | 0.73 | — | — | |
| SCHEMBL5611243 | 0.71 | — | — | |
| SCHEMBL2528550 | 0.71 | — | — | |
| SCHEMBL2527240 | 0.71 | — | — | |
| SCHEMBL373132 | 0.69 | — | — | |
| SCHEMBL12555565 | 0.67 | — | — |
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-119390645-A | Dehalogenation method for reducing N heteroaryl halide by using hydrosilane | 浙江科技大学 | 2025-02-07 | — | — | CN | claimed |
| CN-119390645-A | Dehalogenation method for reducing N heteroaryl halide by using hydrosilane | 浙江科技大学 | 2025-02-07 | — | — | CN | disclosed |