⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8402539 | 0.77 | — | — | |
| SCHEMBL19640773 | 0.77 | — | — | |
| SCHEMBL1641505 | 0.73 | — | — | |
| SCHEMBL19143603 | 0.73 | — | — | |
| SCHEMBL13189779 | 0.71 | — | — | |
| SCHEMBL20992124 | 0.69 | HSD17B3 (0.46) | — | |
| SCHEMBL29078119 | 0.69 | DGAT1 (0.50) | — | |
| SCHEMBL8354512 | 0.69 | KCNH2 (0.40) | — | |
| SCHEMBL369224 | 0.69 | NAMPT (0.51) | — | |
| SCHEMBL31324243 | 0.69 | ESR1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100197501-A1 | SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2010-08-05 | — | — | US | disclosed |