⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5908129 | 0.80 | — | — | |
| SCHEMBL31389326 | 0.80 | — | — | |
| Lithium SCHEMBL31390464 | 0.80 | — | — | |
| Potassium SCHEMBL31071657 | 0.80 | — | — | |
| SCHEMBL31389327 | 0.73 | — | — | |
| SCHEMBL2172279 | 0.73 | — | — | |
| Tert-Butanol SCHEMBL11425990 | 0.68 | — | — | |
| SCHEMBL24490556 | 0.63 | — | — | |
| Propane SCHEMBL2501828 | 0.63 | — | — | |
| SCHEMBL343654 | 0.60 | — | — |
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-111018705-A | Preparation method of tetrahydrocurcumin and intermediate thereof | 南京纽邦生物科技有限公司 | 2020-04-17 | — | — | CN | claimed |
| WO-2023227139-A1 | FUSED PYRIMIDINE DERIVATIVE AND APPLICATION THEREOF | 沈阳药科大学 | 2023-11-30 | — | — | WO | disclosed |
| US-10167275-B2 | AZD9291 intermediate and preparation method therefor | SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) | 2019-01-01 | — | — | US | disclosed |
| US-20180072706-A1 | AZD9291 INTERMEDIATE AND PREPARATION METHOD THEREFOR | SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) | 2018-03-15 | — | — | US | disclosed |