⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28052835 | 0.80 | ALDH1A1 (0.58) | — | |
| SCHEMBL7597104 | 0.79 | — | — | |
| SCHEMBL9620112 | 0.79 | — | — | |
| SCHEMBL290725 | 0.73 | — | — | |
| SCHEMBL2642153 | 0.72 | — | — | |
| SCHEMBL2456394 | 0.71 | — | — | |
| SCHEMBL859923 | 0.71 | — | — | |
| SCHEMBL10679132 | 0.71 | — | — | |
| SCHEMBL858586 | 0.71 | — | — | |
| SCHEMBL18506861 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| CN-105348215-B | A kind of thiazole compound with beans Flavor odor characteristic and preparation method thereof | 波顿（上海）生物技术有限公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-105348215-A | Thiazole compound characterized by bean aroma and preparation method thereof | BODUN SHANGHAI BIOTECHNOLOGY CO LTD | 2016-02-24 | — | — | CN | disclosed |