⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18912009 | 0.71 | — | — | |
| SCHEMBL2973055 | 0.71 | — | — | |
| SCHEMBL16787521 | 0.66 | CSNK1A1 (0.33) | — | |
| SCHEMBL11511911 | 0.62 | HTT (0.46) | — | |
| SCHEMBL18912011 | 0.62 | PDK2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL18788547 | 0.60 | HTR2C (0.42) | — | |
| SCHEMBL15200530 | 0.52 | — | — | |
| SCHEMBL1494613 | 0.52 | POLB (0.35) | — | |
| SCHEMBL16231396 | 0.52 | DYRK1A (0.44) | — | |
| SCHEMBL13572996 | 0.50 | KDM4E (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1638974-A2 | TRIAZOLOPYRIMIDINES | Bayer CropScience AG (DE) | 2006-03-29 | — | — | EP | disclosed |
| WO-2004113341-A2 | FUNGICIDAL TRIAZOLOPYRIMIDINES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2004-12-29 | — | — | WO | disclosed |