⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3441309 | 0.87 | — | — | |
| SCHEMBL7062406 | 0.76 | — | — | |
| SCHEMBL838392 | 0.76 | — | — | |
| SCHEMBL3441138 | 0.74 | TDP1 (0.49) | — | |
| SCHEMBL1436576 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL151814 | 0.73 | MGAM (0.36) | — | |
| SCHEMBL8918614 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL7459042 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL10012209 | 0.72 | — | — | |
| SCHEMBL1100419 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6703030-B2 | COMPRISING A CARBOXYLATED, ACIDIC AMINO ACID OBTAINED BY ACIDIFYING AN ACIDIC AMINO ACID WITH A CARBOXYLIC ACID AND A CARRIER; NONIRRITATING | LOVELY SKIN, INC. | 2004-03-09 | — | — | US | claimed |
| CN-101107304-B | Method for shaping stabilizer melts into pastilles, shaped bodies produced accordingly and the use thereof | BAERLOCHER GMBH | 2011-06-08 | — | — | CN | disclosed |
| CN-101107304-A | Method for shaping stabilizer melts into pastilles, shaped bodies produced accordingly and the use thereof | BAERLOCHER GMBH (DE) | 2008-01-16 | — | — | CN | disclosed |