⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL40659 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL1164025 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL1054440 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL9575126 | 0.73 | — | — | |
| SCHEMBL1054996 | 0.73 | ALDH1A1 (0.45) | — | |
| Formaldehyde SCHEMBL27890389 | 0.72 | ALDH1A1 (0.59) | — | |
| SCHEMBL5352787 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL8295 | 0.71 | — | — | |
| SCHEMBL6950834 | 0.71 | ALDH1A1 (0.56) | — | |
| SCHEMBL295831 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-1211232-A | Benzamidine derivatives substituted with amino acid and hydroxy acid derivatives and their use as anticoagulants | BERLEX LAB (US) | 1999-03-17 | — | — | CN | disclosed |
| CN-1197455-A | Substituted phenyluracils | BAYER AG (DE) | 1998-10-28 | — | — | CN | 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 |