⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17459442 | 0.80 | GUSB (0.37) | — | |
| SCHEMBL17468768 | 0.77 | FFAR1 (0.35) | — | |
| SCHEMBL17459281 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL17459363 | 0.69 | SLC6A2 (0.42) | — | |
| SCHEMBL17459273 | 0.69 | OXTR (0.41) | — | |
| SCHEMBL17459420 | 0.65 | TSHR (0.36) | — | |
| SCHEMBL17468925 | 0.65 | POLB (0.40) | — | |
| SCHEMBL17469074 | 0.63 | KDM4E (0.33) | — | |
| SCHEMBL17459370 | 0.63 | DRD4 (0.39) | — | |
| SCHEMBL17469017 | 0.60 | KDM1A (0.36) | — |
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-2016012333-A1 | PESTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-01-28 | — | — | WO | disclosed |
| WO-2016012333-A1 | PESTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-01-28 | — | — | WO | disclosed |