⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL310025 | 0.73 | — | — | |
| SCHEMBL7707968 | 0.70 | — | — | |
| SCHEMBL28349980 | 0.62 | — | — | |
| SCHEMBL251892 | 0.62 | — | — | |
| SCHEMBL3897423 | 0.60 | — | — | |
| SCHEMBL11768466 | 0.60 | — | — | |
| SCHEMBL29732248 | 0.59 | — | — | |
| SCHEMBL29732139 | 0.59 | — | — | |
| Alcohol SCHEMBL28348327 | 0.58 | — | — | |
| SCHEMBL28510104 | 0.58 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6271421-B1 | CONTACTING AN ALPHA-POLYBROMINATED KETONE WITH AN ALKALI METAL SULFITE IN THE PRESENCE OF A C2-C6 ALKYLCARBOXYLIC ACID TO OBTAIN A SELECTIVELY MONO-DEBROMINATED PRODUCT. | MERCK & CO., INC. | 2001-08-07 | — | — | US | claimed |
| CN-108250238-B | Cyclic-carbonyl-containing quaternary pentavalent phosphorus derivative, and synthesis method and catalytic application thereof | 三峡大学 | 2021-01-26 | — | — | CN | disclosed |
| US-8063085-B2 | Substituted hydantoins | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| EP-2234982-A1 | SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-10-06 | — | — | EP | disclosed |
| US-20090170920-A1 | SUBSTITUTED HYDANTOINS | CHEN SHAOQING | 2009-07-02 | — | — | US | disclosed |
| WO-2009080523-A1 | SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | disclosed |
| US-6271421-B1 | CONTACTING AN ALPHA-POLYBROMINATED KETONE WITH AN ALKALI METAL SULFITE IN THE PRESENCE OF A C2-C6 ALKYLCARBOXYLIC ACID TO OBTAIN A SELECTIVELY MONO-DEBROMINATED PRODUCT. | MERCK & CO., INC. | 2001-08-07 | — | — | US | disclosed |