⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL493020 | 0.82 | CYP1A2 (0.56) | — | |
| Hydrochloric Acid SCHEMBL27794086 | 0.80 | CYP1A2 (0.54) | — | |
| SCHEMBL13630752 | 0.79 | CHRNB2 (0.49) | — | |
| SCHEMBL1520938 | 0.78 | — | — | |
| SCHEMBL291147 | 0.78 | — | — | |
| SCHEMBL18771715 | 0.78 | — | — | |
| SCHEMBL12509540 | 0.78 | — | — | |
| SCHEMBL13630753 | 0.78 | CYP1A2 (0.52) | — | |
| SCHEMBL445750 | 0.78 | — | — | |
| SCHEMBL18461292 | 0.78 | — | — |
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-105384734-B | Trinitrogenazole alcohol antifungal compound and the preparation method and application thereof with the side chain of oxadiazoles containing piperidines | 中国人民解放军第二军医大学 | 2018-07-17 | — | — | CN | disclosed |
| US-8309733-B2 | Imino derivatives, methods for producing the same and insecticides containing the same | Meji Seika Pharma Co., Ltd. (JP) | 2012-11-13 | — | — | US | disclosed |
| US-20110172433-A1 | NOVEL IMINO DERIVATIVES, METHODS FOR PRODUCING THE SAME AND INSECTICIDES CONTAINING THE SAME | MEIJI SEIKA KAISHA, LTD. (JP) | 2011-07-14 | — | — | US | disclosed |