⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7965352 | 0.79 | PRKCA (0.33) | — | |
| SCHEMBL14026656 | 0.75 | DNM1 (0.33) | — | |
| SCHEMBL29154571 | 0.75 | DNM1 (0.36) | — | |
| SCHEMBL13375749 | 0.75 | — | — | |
| SCHEMBL98862 | 0.75 | — | — | |
| SCHEMBL10309517 | 0.74 | DNM1 (0.30) | — | |
| SCHEMBL7967275 | 0.73 | — | — | |
| SCHEMBL28847301 | 0.73 | CYP3A4 (0.36) | — | |
| SCHEMBL30266581 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL6654563 | 0.72 | CYP3A4 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113784958-A | Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi | PI工业有限公司 | 2021-12-10 | — | — | CN | disclosed |
| CN-111196816-A | Seven-membered ring compound and application thereof in preventing and treating diabetes and metabolic syndrome | 中国科学院上海药物研究所 | 2020-05-26 | — | — | CN | disclosed |
| WO-2019182015-A1 | ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND | 持田製薬株式会社 | 2019-09-26 | — | — | WO | disclosed |