⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12658636 | 1.00 | — | — | |
| SCHEMBL14023142 | 0.79 | — | — | |
| SCHEMBL13627004 | 0.79 | — | — | |
| SCHEMBL28201997 | 0.79 | SLC6A1 (0.64) | — | |
| Nipecotic Acid SCHEMBL27460458 | 0.77 | SLC6A1 (0.91) | — | |
| Nipecotic Acid SCHEMBL85677 | 0.76 | — | — | |
| (S)-Nipecotic Acid SCHEMBL254683 | 0.76 | — | — | |
| Nipecotic Acid SCHEMBL456856 | 0.76 | SLC6A1 (1.00) | — | |
| (R)-Nipecotic Acid SCHEMBL520075 | 0.76 | — | — | |
| (R)-Nipecotic Acid SCHEMBL29880539 | 0.76 | — | — |
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-2009047264-A1 | SPIROPYRROLIDINES AND THEIR USE AGAINST HCV AND HIV INFECTION | NOVARTIS AG (CH) | 2009-04-16 | — | — | WO | disclosed |