⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20043110 | 0.72 | — | — | |
| SCHEMBL25457582 | 0.72 | — | — | |
| SCHEMBL14883964 | 0.62 | — | — | |
| SCHEMBL15184684 | 0.62 | — | — | |
| SCHEMBL7893808 | 0.61 | — | — | |
| SCHEMBL14898601 | 0.58 | — | — | |
| SCHEMBL24605120 | 0.53 | — | — | |
| SCHEMBL20610842 | 0.50 | — | — | |
| SCHEMBL19505760 | 0.43 | — | — | |
| SCHEMBL24984188 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102203086-A | Thienylamino pyrimidines for use as fungicides | BAYER CROPSCIENCE AG | 2011-09-28 | — | — | CN | disclosed |
| CN-102143688-A | 4-alkyl-substituted diaminopyrimidines | BAYER CROPSCIENCE AG | 2011-08-03 | — | — | CN | disclosed |