⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL431934 | 0.75 | — | — | |
| SCHEMBL2225149 | 0.75 | — | — | |
| SCHEMBL1238338 | 0.72 | — | — | |
| SCHEMBL4059820 | 0.72 | — | — | |
| SCHEMBL4062497 | 0.72 | — | — | |
| SCHEMBL16986050 | 0.65 | — | — | |
| SCHEMBL8486435 | 0.60 | — | — | |
| SCHEMBL11232891 | 0.59 | — | — | |
| SCHEMBL5964259 | 0.57 | — | — | |
| Acetic Acid SCHEMBL8037754 | 0.57 | FFAR3 (0.54) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0304649-B1 | Salts of 6-piperidino-2,4-diaminopyrimidin-3-oxide and of derivatives of thiamorpholin-3-on-5-carboxylic acid, their cosmetical and medicinal use. | L'OREAL (FR) | 1991-03-20 | — | — | EP | claimed |