⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20331523 | 0.70 | PDPK1 (0.34) | — | |
| SCHEMBL6034403 | 0.68 | PDPK1 (0.37) | — | |
| SCHEMBL22125849 | 0.67 | — | — | |
| SCHEMBL28579483 | 0.66 | TDO2 (0.49) | — | |
| SCHEMBL11988457 | 0.66 | NOS1 (0.46) | — | |
| SCHEMBL25256160 | 0.66 | — | — | |
| SCHEMBL24059120 | 0.66 | LMNA (0.51) | — | |
| SCHEMBL23863591 | 0.64 | PDPK1 (0.55) | — | |
| SCHEMBL31016812 | 0.62 | — | — | |
| SCHEMBL25010037 | 0.62 | TIPARP (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 |
|---|---|---|---|---|---|---|---|
| WO-2012061290-A2 | PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2012-05-10 | — | — | WO | disclosed |