⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8187181 | 0.67 | — | — | |
| SCHEMBL10684723 | 0.67 | — | — | |
| SCHEMBL7848330 | 0.62 | — | — | |
| SCHEMBL2936021 | 0.59 | — | — | |
| SCHEMBL19685423 | 0.59 | — | — | |
| SCHEMBL17198842 | 0.59 | — | — | |
| SCHEMBL18611216 | 0.58 | KDM2B (0.31) | — | |
| SCHEMBL10070244 | 0.56 | — | — | |
| SCHEMBL4577346 | 0.51 | — | — | |
| SCHEMBL391074 | 0.50 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1042639-A | Insecticides | ICI PLC (GB) | 1990-06-06 | — | — | CN | claimed |
| EP-0802917-B1 | ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | MERCK FROSST CANADA INC (CA) | 2001-11-07 | — | — | EP | disclosed |
| EP-0802917-A1 | ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | MERCK FROSST CANADA INC. (CA) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996021667-A1 | ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | MERCK FROSST CANADA INC. (CA) | 1996-07-18 | — | — | WO | disclosed |
| EP-0003284-B1 | FUNGICIDAL AND BACTERICIDAL COMPOSITIONS CONTAINING 3-AZOLYL-BENZOTRIAZINES AND -BENZOTRIAZINE 1-OXIDES AND THEIR USE AGAINST PLANT DISEASES | BAYER AG (DE) | 1981-01-07 | — | — | EP | disclosed |
| US-4239760-A | Combating fungi and bacteria with 3-azolyl-benzo-1,2,4-triazines and 1-oxides thereof | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-16 | — | — | US | disclosed |
| EP-0003284-A1 | Fungicidal and bactericidal compositions containing 3-azolyl-benzotriazines and -benzotriazine 1-oxides and their use against plant diseases | BAYER AG (DE) | 1979-08-08 | — | — | EP | disclosed |