⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17658 | 1.00 | — | — | |
| SCHEMBL17608 | 0.87 | ADRB1 (0.36) | — | |
| SCHEMBL17609 | 0.87 | ADRB1 (0.36) | — | |
| SCHEMBL17659 | 0.71 | KMO (0.30) | — | |
| SCHEMBL17377 | 0.71 | POLB (0.40) | — | |
| SCHEMBL17378 | 0.71 | POLB (0.40) | — | |
| SCHEMBL10223568 | 0.69 | CA2 (0.34) | — | |
| SCHEMBL600884 | 0.69 | CA2 (0.34) | — | |
| SCHEMBL18342 | 0.68 | KMO (0.65) | — | |
| SCHEMBL18343 | 0.68 | KMO (0.65) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012025460-A1 | OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL | BAYER CROPSCIENCE AG (DE) | 2012-03-01 | — | — | WO | disclosed |