⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28275915 | 0.73 | — | — | |
| SCHEMBL28265245 | 0.67 | — | — | |
| SCHEMBL27966044 | 0.67 | USP2 (0.38) | — | |
| SCHEMBL5324388 | 0.66 | — | — | |
| SCHEMBL5791668 | 0.66 | — | — | |
| SCHEMBL28330944 | 0.64 | NPSR1 (0.33) | — | |
| SCHEMBL28327595 | 0.64 | GAA (0.33) | — | |
| SCHEMBL28300784 | 0.63 | — | — | |
| SCHEMBL5263447 | 0.63 | — | — | |
| SCHEMBL22535143 | 0.62 | CYP3A4 (0.31) | — |
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-104086528-A | Novel heterocyclic compounds as pesticides | BAYER IP GMBH | 2014-10-08 | — | — | CN | disclosed |
| CN-103140483-A | novel heterocyclic compounds as pesticides | BAYER CROPSCIENCE AG | 2013-06-05 | — | — | CN | disclosed |