⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8505259 | 0.83 | FUCA1 (0.61) | — | |
| SCHEMBL16847618 | 0.78 | — | — | |
| SCHEMBL18576634 | 0.78 | — | — | |
| SCHEMBL13651989 | 0.78 | — | — | |
| SCHEMBL12415513 | 0.78 | — | — | |
| SCHEMBL2542861 | 0.77 | — | — | |
| SCHEMBL1660677 | 0.77 | — | — | |
| SCHEMBL6867646 | 0.77 | FUCA1 (0.50) | — | |
| SCHEMBL6549494 | 0.77 | FUCA1 (0.50) | — | |
| SCHEMBL6870012 | 0.77 | FUCA1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0434365-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1991-06-26 | — | — | EP | disclosed |