⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6686785 | 0.57 | — | — | |
| SCHEMBL24404193 | 0.53 | IDO1 (0.52) | — | |
| SCHEMBL15762826 | 0.53 | IDO1 (0.52) | — | |
| Uracil SCHEMBL8235 | 0.51 | — | — | |
| SCHEMBL21564019 | 0.51 | CCR8 (0.59) | — | |
| SCHEMBL2632908 | 0.51 | — | — | |
| Uracil SCHEMBL5089507 | 0.51 | — | — | |
| SCHEMBL6042142 | 0.51 | NOTUM (0.77) | — | |
| Uracil SCHEMBL3798527 | 0.51 | CRBN (1.00) | — | |
| SCHEMBL5879704 | 0.51 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0116318-B1 | TETRAHYDRO-1,3-THIAZINE-2,4-DIONES, THEIR USE AND AGENTS CONTAINING THESE COMPOUNDS FOR THE TREATMENT OF THE SKIN | Wella Aktiengesellschaft (DE) | 1988-03-02 | — | — | EP | claimed |
| US-7164028-B2 | Method for preparing β-alaninamides | LONZA AG (CH) | 2007-01-16 | — | — | US | disclosed |
| US-20050192354-A1 | Method for preparing beta-alaninamides | HILDBRAND STEFAN (CH) | 2005-09-01 | — | — | US | disclosed |
| US-6878829-B2 | Method for producing β-alaninamides | LONZA AG (CH) | 2005-04-12 | — | — | US | disclosed |
| US-20030105335-A1 | Method for producing beta-alaninamides | LONZA AG (CH) | 2003-06-05 | — | — | US | disclosed |