⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13878015 | 0.63 | ADORA2A (0.34) | — | |
| SCHEMBL9559765 | 0.59 | — | — | |
| SCHEMBL18615718 | 0.59 | — | — | |
| SCHEMBL11618156 | 0.57 | — | — | |
| SCHEMBL5957045 | 0.55 | — | — | |
| SCHEMBL11224913 | 0.54 | — | — | |
| SCHEMBL11792566 | 0.52 | — | — | |
| SCHEMBL20408744 | 0.51 | — | — | |
| SCHEMBL10511767 | 0.50 | — | — | |
| SCHEMBL13811300 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140194480-A1 | METHODS FOR THE CONTROL OF TERMITES AND ANTS | SYNGENTA PARTICIPATIONS AG (CH) | 2014-07-10 | — | — | US | disclosed |