⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7663313 | 0.77 | — | — | |
| Trichloroacetic Acid SCHEMBL28169658 | 0.75 | ALDH1A1 (0.83) | — | |
| Trichloroacetic Acid SCHEMBL1331160 | 0.73 | — | — | |
| Trichloroacetic Acid SCHEMBL38661501 | 0.73 | — | — | |
| Trichloroacetic Acid SCHEMBL3220 | 0.73 | — | — | |
| Trichloroacetic Acid SCHEMBL10493657 | 0.73 | TSHR (1.00) | — | |
| Trichloroacetic Acid SCHEMBL5311061 | 0.73 | TSHR (1.00) | — | |
| Trichloroacetic Acid SCHEMBL10745837 | 0.73 | — | — | |
| Trichloroacetic Acid SCHEMBL1331955 | 0.73 | — | — | |
| Trichloroacetic Acid SCHEMBL11393443 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1198456-B1 | POTASSIUM CHANNEL OPENERS | ABBOTT LAB (US) | 2007-09-19 | — | — | EP | 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 |
| 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 |