⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9539650 | 0.78 | HTR1A (0.30) | — | |
| SCHEMBL9540602 | 0.74 | PABPC1 (0.30) | — | |
| SCHEMBL9539643 | 0.74 | PABPC1 (0.30) | — | |
| SCHEMBL9540543 | 0.72 | — | — | |
| SCHEMBL9539639 | 0.53 | ADRA1B (0.47) | — | |
| SCHEMBL273021 | 0.51 | SLC6A4 (0.51) | — | |
| SCHEMBL24549455 | 0.51 | KDM4E (0.37) | — | |
| SCHEMBL24429380 | 0.51 | KDM4E (0.37) | — | |
| SCHEMBL24429524 | 0.51 | KDM4E (0.37) | — | |
| SCHEMBL19983067 | 0.50 | MMP1 (0.44) | — |
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 |