⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31039233 | 0.80 | — | — | |
| SCHEMBL611784 | 0.77 | LPO (0.39) | — | |
| SCHEMBL8492338 | 0.76 | — | — | |
| SCHEMBL5604635 | 0.74 | TSHR (0.49) | — | |
| Formaldehyde SCHEMBL2084420 | 0.74 | NAMPT (0.44) | — | |
| Bromide SCHEMBL7373319 | 0.73 | RAB9A (0.48) | — | |
| SCHEMBL405925 | 0.73 | — | — | |
| SCHEMBL114011 | 0.73 | — | — | |
| SCHEMBL12234495 | 0.73 | — | — | |
| SCHEMBL14472618 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1707202-A1 | Organic compounds | Speedel Experimenta AG (CH) | 2006-10-04 | — | — | EP | claimed |
| EP-1707206-A1 | Piperazine derivates for the inhibition of beta-secretase, cathepsin D, plasmepsin ll and HIV protease and for the treatment of malaria, Alzeheimer and AIDS | Speedel Experimenta AG (CH) | 2006-10-04 | — | — | EP | disclosed |
| EP-1707202-A1 | Organic compounds | Speedel Experimenta AG (CH) | 2006-10-04 | — | — | EP | disclosed |