⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25281666 | 0.98 | CYP2C19 (0.43) | — | |
| SCHEMBL6843334 | 0.98 | CYP2C19 (0.43) | — | |
| SCHEMBL6843354 | 0.98 | CYP2C19 (0.43) | — | |
| SCHEMBL12506492 | 0.98 | CYP2C19 (0.43) | — | |
| SCHEMBL1885262 | 0.92 | — | — | |
| SCHEMBL27822244 | 0.87 | CYP2C19 (0.55) | — | |
| SCHEMBL6871500 | 0.84 | CYP2C19 (0.52) | — | |
| SCHEMBL14478080 | 0.84 | CYP2C19 (0.52) | — | |
| Mercaptopropionic Acid SCHEMBL28079602 | 0.82 | HDAC11 (0.40) | — | |
| SCHEMBL1879803 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8614217-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2013-12-24 | — | — | US | disclosed |
| US-20110201613-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2011-08-18 | — | — | US | disclosed |
| EP-1829876-A1 | NITROGENEOUS TRICYCLIC COMPOUND | Asahi Kasei Pharma Corporation (JP) | 2007-09-05 | — | — | EP | disclosed |
| US-20060247266-A1 | Nitrogen-containing tricyclic compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2006-11-02 | — | — | US | disclosed |
| EP-1302475-A1 | SUGAR CHAIN-CONTAINING CARBOSILANE DENDRIMER COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND VEROTOXIN NEUTRALIZERS AND ANTIVIRAL AGENTS | Japan Science and Technology Corporation (JP) | 2003-04-16 | — | — | EP | disclosed |