⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7127243 | 0.85 | THRB (0.36) | — | |
| SCHEMBL7128249 | 0.80 | CA2 (0.30) | — | |
| SCHEMBL5078106 | 0.65 | THRB (0.33) | — | |
| SCHEMBL699644 | 0.61 | THRB (0.35) | — | |
| SCHEMBL1813630 | 0.60 | THRB (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL4841717 | 0.59 | THRB (0.52) | — | |
| SCHEMBL70056 | 0.58 | CA2 (0.41) | — | |
| Bicarbonate SCHEMBL9424929 | 0.57 | CA2 (0.31) | — | |
| SCHEMBL428729 | 0.57 | THRB (0.36) | — | |
| SCHEMBL63977 | 0.57 | THRB (0.58) | — |
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-6514911-B1 | Substituted oxadiazines useful as pesticides | UNIROYAL CHEMICAL COMPANY, INC. | 2003-02-04 | — | — | US | disclosed |