⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL27304882 | 0.98 | — | — | |
| SCHEMBL7220266 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL26129174 | 0.74 | — | — | |
| SCHEMBL8614102 | 0.69 | — | — | |
| SCHEMBL27675698 | 0.69 | — | — | |
| SCHEMBL15918033 | 0.68 | — | — | |
| SCHEMBL31526359 | 0.68 | — | — | |
| SCHEMBL29147265 | 0.67 | — | — | |
| SCHEMBL4739244 | 0.65 | — | — | |
| SCHEMBL1702925 | 0.64 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0483772-B1 | Aminocoumaran derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-09-13 | — | — | EP | claimed |
| CN-111978163-B | Method for synthesizing aromatic aldehyde ketone by catalyzing alkyl aromatic hydrocarbon with water as oxygen source | 华东理工大学 | 2022-09-27 | — | — | CN | disclosed |
| CN-111978163-A | Method for synthesizing aromatic aldehyde ketone by catalyzing alkyl aromatic hydrocarbon with water as oxygen source | 华东理工大学 | 2020-11-24 | — | — | CN | disclosed |
| US-20040029734-A1 | Fused-benzene derivatives useful as herbicides | ISHIHARA SANGYO KAISHA, LTD. | 2004-02-12 | — | — | US | disclosed |
| US-20040018941-A1 | Fused-benzene derivatives of thiouracil, herbicidal and desiccant compositions contaning them | ISHIHARA SANGYO KAISHA, LTD. | 2004-01-29 | — | — | US | disclosed |
| WO-2004008859-A1 | FUSED-BENZENE DERIVATIVES OF THIOURACIL, HERBICIDAL AND DESICCANT COMPOSITIONS CONTANING THEM | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2004-01-29 | — | — | WO | disclosed |
| US-6573218-B1 | Defoliants containing such as uracil and 1,4-benzoxazole or benzthiazole moieties | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2003-06-03 | — | — | US | disclosed |
| EP-1111993-A4 | FUSED-BENZENE DERIVATIVES USEFUL AS HERBICIDES | ISHIHARA SANGYO KAISHA (JP) | 2002-12-04 | — | — | EP | disclosed |
| EP-1111993-A1 | FUSED-BENZENE DERIVATIVES USEFUL AS HERBICIDES | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000013508-A1 | FUSED-BENZENE DERIVATIVES USEFUL AS HERBICIDES | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2000-03-16 | — | — | WO | disclosed |