⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9801194 | 0.94 | — | — | |
| SCHEMBL11868831 | 0.87 | TSHR (0.31) | — | |
| SCHEMBL22820872 | 0.87 | — | — | |
| SCHEMBL5585759 | 0.81 | S1PR1 (0.32) | — | |
| SCHEMBL4079651 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL24272747 | 0.79 | — | — | |
| SCHEMBL29108978 | 0.79 | KEAP1 (0.33) | — | |
| SCHEMBL14022719 | 0.79 | — | — | |
| SCHEMBL3873641 | 0.78 | — | — | |
| SCHEMBL21792999 | 0.76 | ALDH1A1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113493628-A | Quantum dot ink and preparation method of quantum dot film | TCL科技集团股份有限公司 | 2021-10-12 | — | — | CN | disclosed |
| CN-113122053-A | Quantum dot ink and preparation method of quantum dot film | TCL集团股份有限公司 | 2021-07-16 | — | — | CN | disclosed |
| EP-1421074-A1 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003010158-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2003-02-06 | — | — | WO | disclosed |