⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15416248 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL21379868 | 0.65 | — | — | |
| SCHEMBL6298021 | 0.64 | ALDH1A1 (0.34) | — | |
| SCHEMBL2089163 | 0.62 | GAA (0.33) | — | |
| SCHEMBL22912563 | 0.61 | MAOA (0.32) | — | |
| SCHEMBL14685225 | 0.61 | USP2 (0.30) | — | |
| SCHEMBL9435548 | 0.61 | — | — | |
| SCHEMBL8937660 | 0.61 | — | — | |
| SCHEMBL9685153 | 0.60 | IGF1R (0.41) | — | |
| SCHEMBL1660315 | 0.59 | AGXT (0.33) | — |
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-20100022559-A1 | BISOXIMES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-01-28 | — | — | US | disclosed |