⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28473247 | 0.91 | MEN1 (0.48) | — | |
| SCHEMBL27371056 | 0.91 | MEN1 (0.48) | — | |
| SCHEMBL27677636 | 0.91 | MEN1 (0.48) | — | |
| SCHEMBL27758194 | 0.91 | MEN1 (0.48) | — | |
| SCHEMBL5016839 | 0.90 | TSHR (0.44) | — | |
| SCHEMBL3179591 | 0.87 | TSHR (0.56) | — | |
| SCHEMBL2058431 | 0.85 | — | — | |
| SCHEMBL10613666 | 0.84 | TSHR (0.44) | — | |
| SCHEMBL308917 | 0.82 | — | — | |
| SCHEMBL309262 | 0.82 | CA1 (0.40) | — |
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-114870793-B | Aromatic hydrocarbon adsorbent for high-sulfur nitrogen raw oil and preparation method thereof | 中海油天津化工研究设计院有限公司 | 2024-01-16 | — | — | CN | disclosed |
| US-11326020-B2 | Composition for treating three-dimensional object precursor | KAO CORPORATION (JP) | 2022-05-10 | — | — | US | disclosed |
| US-20200157276-A1 | COMPOSITION FOR TREATING THREE-DIMENSIONAL OBJECT PRECURSOR | KAO CORPORATION (JP) | 2020-05-21 | — | — | US | disclosed |