⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11673113 | 0.91 | — | — | |
| SCHEMBL456445 | 0.91 | — | — | |
| SCHEMBL29211695 | 0.91 | — | — | |
| SCHEMBL31325356 | 0.91 | — | — | |
| SCHEMBL457092 | 0.83 | — | — | |
| SCHEMBL22128056 | 0.83 | — | — | |
| SCHEMBL29116357 | 0.83 | — | — | |
| SCHEMBL180913 | 0.83 | — | — | |
| SCHEMBL3030557 | 0.83 | — | — | |
| SCHEMBL29211694 | 0.83 | — | — |
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-118639228-A | TiB (titanium-boron)2TiC reinforced high-entropy alloy composite coating, preparation method thereof and composite material | 华北水利水电大学 | 2024-09-13 | — | — | CN | disclosed |