⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29060443 | 0.89 | TSHR (0.32) | — | |
| SCHEMBL29199022 | 0.87 | TSHR (0.34) | — | |
| SCHEMBL2026922 | 0.85 | TSHR (0.36) | — | |
| SCHEMBL29199040 | 0.85 | TSHR (0.36) | — | |
| SCHEMBL29199059 | 0.85 | TSHR (0.36) | — | |
| SCHEMBL28380539 | 0.84 | APEX1 (0.46) | — | |
| SCHEMBL1502692 | 0.76 | NPSR1 (0.31) | — | |
| SCHEMBL2345439 | 0.72 | NAAA (0.34) | — | |
| SCHEMBL1264821 | 0.72 | NAAA (0.34) | — | |
| SCHEMBL2540073 | 0.72 | NAAA (0.34) | — |
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-117736377-A | Dual-image orthogonal storage material, and preparation method and application thereof | 华中科技大学 | 2024-03-22 | — | — | CN | claimed |
| CN-117736377-A | Dual-image orthogonal storage material, and preparation method and application thereof | 华中科技大学 | 2024-03-22 | — | — | CN | disclosed |
| CN-115386046-A | Holographic recording medium, holographic high polymer material, preparation method of holographic high polymer material and display device | 华为技术有限公司 | 2022-11-25 | — | — | CN | disclosed |