⚠ 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 | |
|---|---|---|---|---|
| Spiroxamine SCHEMBL20282 | 0.89 | PABPC1 (0.31) | — | |
| Spiroxamine SCHEMBL17335924 | 0.89 | PABPC1 (0.31) | — | |
| Spiroxamine SCHEMBL27795318 | 0.88 | PABPC1 (0.30) | — | |
| Spiroxamine SCHEMBL303050 | 0.82 | — | — | |
| SCHEMBL9543281 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL12532487 | 0.78 | PABPC1 (0.32) | — | |
| Spiroxamine SCHEMBL17335926 | 0.76 | — | — | |
| SCHEMBL19088354 | 0.76 | ADRA1A (0.32) | — | |
| SCHEMBL8527748 | 0.76 | PABPC1 (0.37) | — | |
| SCHEMBL1192491 | 0.76 | PABPC1 (0.32) | — |
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-1993002074-A1 | ALKOXYAMINO KETALS, THEIR PREPARATION AND INTERMEDIATE PRODUCTS THEREFOR, AND THEIR USE AS FUNGICIDES | CHEMINOVA AGRO A/S (DK) | 1993-02-04 | — | — | WO | disclosed |