⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6324155 | 0.88 | BUB1 (0.32) | — | |
| SCHEMBL6325429 | 0.86 | MAOB (0.32) | — | |
| SCHEMBL6332845 | 0.86 | — | — | |
| SCHEMBL6324166 | 0.83 | MAPT (0.31) | — | |
| SCHEMBL6332964 | 0.81 | P2RX3 (0.35) | — | |
| SCHEMBL5183288 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL6328372 | 0.80 | — | — | |
| SCHEMBL6332976 | 0.79 | DPP4 (0.34) | — | |
| SCHEMBL6333426 | 0.79 | — | — | |
| SCHEMBL6334986 | 0.76 | — | — |
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 9 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-6852464-B2 | Coating underlayer over a hydrophilic surface of a substrate; coating imageable layer over underlayer; heating | KODAK POLYCHROME GRAPHICS, LLC (US) | 2005-02-08 | — | — | 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 |
| US-20030157422-A1 | Coating underlayer over a hydrophilic surface of a substrate; coating imageable layer over underlayer; heating | EASTMAN KODAK COMPANY | 2003-08-21 | — | — | US | disclosed |
| EP-1208090-A1 | HERBICIDALTETRAZOLINONE DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001010850-A1 | HERBICIDAL TETRAZOLINONE DERIVATIVES | NIHON BAYER AGROCHEM K.K. (DE) | 2001-02-15 | — | — | WO | disclosed |