⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2443209 | 0.79 | — | — | |
| SCHEMBL2858201 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL1444159 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL79401 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL288128 | 0.78 | — | — | |
| SCHEMBL8970879 | 0.77 | NAAA (0.52) | — | |
| SCHEMBL7627381 | 0.76 | — | — | |
| SCHEMBL8917283 | 0.76 | — | — | |
| SCHEMBL17617672 | 0.76 | — | — | |
| SCHEMBL5603 | 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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6174839-B1 | AS HERBICIDE | NIHON BAYER AGROCHEM K.K. (JP) | 2001-01-16 | — | — | US | claimed |
| US-5935907-A | HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1999-08-10 | — | — | US | claimed |
| EP-0869123-A2 | Phenylacetylene derivatives | NIHON BAYER AGROCHEM K.K. (JP) | 1998-10-07 | — | — | EP | claimed |
| US-9580444-B2 | Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof | SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) | 2017-02-28 | — | — | US | disclosed |
| US-20160024110-A1 | POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2016-01-28 | — | — | US | disclosed |
| EP-2975040-A1 | POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF | Sagami Chemical Research Institute (JP) | 2016-01-20 | — | — | EP | disclosed |
| CN-1121394-C | Substituted phenyluracils | BAYER AG (DE) | 2003-09-17 | — | — | CN | disclosed |
| US-6455697-B2 | Substituted phenyluracils | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-24 | — | — | US | disclosed |
| EP-0843667-B1 | SUBSTITUTED PHENYLURACILS | BAYER AG (DE) | 2001-10-17 | — | — | EP | disclosed |
| US-6251828-B1 | HERBICIDE FOR TOTAL CONTROL OF WEEDS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |
| US-20010003732-A1 | 1-(4-cyano-2-fluoro-5-(2-chloro-2-methoxycarbonylethyl) -phenyl)-3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1-(2H)-pyrimidine, for example; use as herbicides; chemical intermediates and method of synthesis | ANDREE ROLAND (DE) | 2001-06-14 | — | — | US | disclosed |
| US-6174839-B1 | AS HERBICIDE | NIHON BAYER AGROCHEM K.K. (JP) | 2001-01-16 | — | — | US | disclosed |
| US-5935907-A | HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1999-08-10 | — | — | US | disclosed |
| CN-1197455-A | Substituted phenyluracils | BAYER AG (DE) | 1998-10-28 | — | — | CN | disclosed |
| EP-0869123-A2 | Phenylacetylene derivatives | NIHON BAYER AGROCHEM K.K. (JP) | 1998-10-07 | — | — | EP | disclosed |
| EP-0843667-A1 | SUBSTITUTED PHENYLURACILS | BAYER AG (DE) | 1998-05-27 | — | — | EP | disclosed |
| WO-1997005118-A1 | SUBSTITUTED PHENYLURACILS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-02-13 | — | — | WO | disclosed |
| US-5521145-A | Iminothiazoline derivatives and herbicides containing them as active ingredients | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1996-05-28 | — | — | US | disclosed |
| EP-0683160-A1 | Iminothiazoline derivatives and herbicides containing them as active ingredients | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-11-22 | — | — | EP | disclosed |