⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8613591 | 1.00 | — | — | |
| SCHEMBL290488 | 1.00 | — | — | |
| SCHEMBL11772804 | 0.85 | ACE2 (0.48) | — | |
| SCHEMBL9163435 | 0.84 | — | — | |
| SCHEMBL1409399 | 0.84 | — | — | |
| SCHEMBL1410433 | 0.82 | CA1 (0.61) | — | |
| SCHEMBL1409670 | 0.80 | CA1 (0.59) | — | |
| SCHEMBL2487690 | 0.80 | CA1 (0.59) | — | |
| SCHEMBL9405814 | 0.80 | CA1 (0.59) | — | |
| SCHEMBL8020771 | 0.80 | CA1 (0.59) | — |
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-2021161099-A1 | PROCESS FOR THE SYNTHESIS OF S-BEFLUBUTAMID FROM (R)-2-AMINOBUTANOIC ACID | CHEMINOVA A/S (DK) | 2021-08-19 | — | — | WO | disclosed |