⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2047805 | 0.75 | — | — | |
| SCHEMBL22553392 | 0.71 | — | — | |
| SCHEMBL10053663 | 0.69 | CYP2C19 (0.33) | — | |
| SCHEMBL28724378 | 0.67 | CRBN (0.35) | — | |
| SCHEMBL24035038 | 0.66 | CYP2C19 (0.33) | — | |
| SCHEMBL17867285 | 0.66 | — | — | |
| SCHEMBL24035287 | 0.63 | CRBN (0.39) | — | |
| SCHEMBL9066143 | 0.62 | — | — | |
| SCHEMBL13508673 | 0.62 | — | — | |
| SCHEMBL1074428 | 0.62 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11485725-B2 | Derivatives of piperlongumine and uses thereof | AURANSA INC. (US) | 2022-11-01 | — | — | US | disclosed |
| US-20210198235-A1 | DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF | AURANSA INC. | 2021-07-01 | — | — | US | disclosed |
| EP-3251679-B1 | NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER | MITSUBISHI TANABE PHARMA CORP (JP) | 2020-12-16 | — | — | EP | disclosed |
| US-20200377510-A1 | DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF | AURANSA INC. | 2020-12-03 | — | — | US | disclosed |
| US-20200377510-A1 | DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF | AURANSA INC. | 2020-12-03 | — | — | US | disclosed |
| WO-2019103897-A1 | DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF | AURANSA INC. (US) | 2019-05-31 | — | — | WO | disclosed |
| WO-2015027963-A1 | AROMATIC RING DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 四川海思科制药有限公司 (CN) | 2015-03-05 | — | — | WO | disclosed |
| WO-2014206349-A1 | OXA-THIA-BICYCLO[3.2.1]OCTANE DERIVATIVE, PREPARATION METHOD, AND USE OF SAME | 四川海思科制药有限公司 (CN) | 2014-12-31 | — | — | WO | disclosed |
| WO-2010075273-A1 | BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2010-07-01 | — | — | WO | disclosed |