⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20258303 | 0.72 | — | — | |
| SCHEMBL28795323 | 0.70 | — | — | |
| SCHEMBL270817 | 0.69 | — | — | |
| SCHEMBL3674773 | 0.67 | — | — | |
| SCHEMBL3721021 | 0.67 | TRPA1 (0.31) | — | |
| SCHEMBL6173075 | 0.67 | — | — | |
| SCHEMBL15344656 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL6437312 | 0.67 | — | — | |
| SCHEMBL1133791 | 0.65 | — | — | |
| Glycerin SCHEMBL28634331 | 0.65 | LMNA (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005014591-A1 | 2-ACYLAMINO OR 2-SULFONYLAMINO-1, 3-THIAZOLES AS COUPLERS FOR THE OXIDATION DYEING OF KERATIN FIBRES | L'OREAL (FR) | 2005-02-17 | — | — | WO | disclosed |