⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3908235 | 0.74 | — | — | |
| Fluoride SCHEMBL8995108 | 0.73 | GSK3B (0.31) | — | |
| SCHEMBL404184 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL9619755 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL9095133 | 0.69 | — | — | |
| SCHEMBL154019 | 0.65 | — | — | |
| SCHEMBL408354 | 0.65 | — | — | |
| SCHEMBL10781312 | 0.65 | — | — | |
| Dichlorotetrafluoroethane SCHEMBL554874 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL2816011 | 0.65 | — | — |
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-2001056358-A2 | ENHANCED PROPERTIED PESTICIDES | ROHM AND HAAS COMPANY (US) | 2001-08-09 | — | — | WO | disclosed |