⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL46140 | 0.91 | TSHR (0.32) | — | |
| SCHEMBL46053 | 0.89 | SIGMAR1 (0.32) | — | |
| SCHEMBL46054 | 0.87 | L3MBTL1 (0.30) | — | |
| SCHEMBL46114 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL46139 | 0.84 | OPRM1 (0.36) | — | |
| SCHEMBL46375 | 0.83 | NPSR1 (0.31) | — | |
| SCHEMBL12071753 | 0.83 | P2RX7 (0.39) | — | |
| SCHEMBL15032121 | 0.83 | RXFP1 (0.36) | — | |
| SCHEMBL12071744 | 0.82 | P2RX7 (0.36) | — | |
| SCHEMBL12071745 | 0.82 | EZH2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011151249-A2 | METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA | SYNGENTA PARTICIPATIONS AG (CH) | 2011-12-08 | — | — | WO | disclosed |
| WO-2010066780-A1 | SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2010-06-17 | — | — | WO | disclosed |