⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL335305 | 0.75 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL29364216 | 0.75 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL12722139 | 0.75 | MAPT (0.30) | — | |
| SCHEMBL31000235 | 0.73 | PRKCI (0.40) | — | |
| SCHEMBL27306179 | 0.73 | — | — | |
| SCHEMBL21543215 | 0.73 | PRKCI (0.40) | — | |
| SCHEMBL5518273 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL24799583 | 0.71 | — | — | |
| SCHEMBL9876133 | 0.71 | — | — | |
| SCHEMBL287450 | 0.70 | KDM4E (0.47) | — |
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-106883926-B | Peanut oil and preparation method thereof | 丰益(上海)生物技术研发中心有限公司 | 2021-03-02 | — | — | CN | disclosed |
| CN-106883926-A | Peanut oil and preparation method thereof | 丰益(上海)生物技术研发中心有限公司 | 2017-06-23 | — | — | CN | disclosed |
| WO-2017106306-A1 | METHODS OF TREATING HYPERALGESIA | TREVENA, INC. (US) | 2017-06-22 | — | — | WO | disclosed |
| US-5172706-A | Smoking compositions containing an oxalate flavorant-release additive | PHILIP MORRIS INCORPORATED (US) | 1992-12-22 | — | — | US | disclosed |