⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1566173 | 0.84 | — | — | |
| SCHEMBL8682794 | 0.84 | ALDH1A1 (0.40) | — | |
| SCHEMBL9372859 | 0.81 | — | — | |
| SCHEMBL14152670 | 0.81 | — | — | |
| SCHEMBL27837232 | 0.80 | — | — | |
| SCHEMBL16230730 | 0.80 | AR (0.43) | — | |
| Hydrochloric Acid SCHEMBL14889613 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL684232 | 0.78 | — | — | |
| SCHEMBL28639887 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL27591639 | 0.77 | — | — |
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-20110195968-A1 | THIAZOLES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2011-08-11 | — | — | US | disclosed |
| US-20090030024-A1 | THIAZOLES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2009-01-29 | — | — | US | disclosed |
| CN-1917849-A | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE (US) | 2007-02-21 | — | — | CN | disclosed |