⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6326608 | 0.91 | USP2 (0.30) | — | |
| SCHEMBL6334979 | 0.84 | MAPT (0.32) | — | |
| SCHEMBL6324155 | 0.74 | BUB1 (0.32) | — | |
| SCHEMBL6332854 | 0.73 | ROCK2 (0.33) | — | |
| SCHEMBL6324166 | 0.72 | MAPT (0.31) | — | |
| SCHEMBL6326681 | 0.72 | — | — | |
| SCHEMBL6325429 | 0.70 | MAOB (0.32) | — | |
| SCHEMBL6331565 | 0.70 | BUB1 (0.31) | — | |
| SCHEMBL6324102 | 0.69 | MAPT (0.47) | — | |
| SCHEMBL6324676 | 0.68 | MAPT (0.34) | — |
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-6936570-B2 | Tetrazolinone derivatives | NIHON BAYER AGROCHEM, K.K. (JP) | 2005-08-30 | — | — | US | disclosed |
| US-20040242895-A1 | Novel tetrazolinone derivatives | YANAGI AKIHIKO (JP) | 2004-12-02 | — | — | US | disclosed |
| US-6790810-B2 | Tetrazolinone derivatives | NIHON BAYER AGROCHEM K.K. (JP) | 2004-09-14 | — | — | US | disclosed |
| US-20040102635-A1 | Novel tetrazolinone derivatives | YANAGI AKIHIKO (JP) | 2004-05-27 | — | — | US | disclosed |
| US-6624121-B1 | Exemplified by 2-cyano-3-cyclopropyl-1-(3-((4-cyclopropyl-4,5-dihydro-5-oxo-1H-tetrazol-1 -yl)methyl)-2, 4-dichlorophenyl)propan-1,3-dione | NIHON BAYER AGROCHEM K.K. (JP) | 2003-09-23 | — | — | US | disclosed |