⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19463027 | 0.84 | POLB (0.31) | — | |
| SCHEMBL455761 | 0.84 | POLB (0.31) | — | |
| SCHEMBL1864372 | 0.76 | SLC6A2 (0.35) | — | |
| SCHEMBL27263627 | 0.76 | HDAC8 (0.33) | — | |
| SCHEMBL1860311 | 0.76 | CYP2D6 (0.32) | — | |
| SCHEMBL1859471 | 0.74 | CYP11B2 (0.35) | — | |
| SCHEMBL1870270 | 0.74 | CYP11B2 (0.35) | — | |
| SCHEMBL1866792 | 0.74 | CYP11B2 (0.35) | — | |
| SCHEMBL15516364 | 0.69 | TRPA1 (0.34) | — | |
| SCHEMBL29014042 | 0.68 | POLB (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 |
|---|---|---|---|---|---|---|---|
| US-7189680-B2 | 5-halo-6-aryl[1,2,4]triazolo[1,5-a]pyrimidin-7-amines | BAYER CROPSCIENCE AG (DE) | 2007-03-13 | — | — | US | disclosed |