⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18365472 | 1.00 | — | — | |
| SCHEMBL12681632 | 1.00 | — | — | |
| SCHEMBL10104035 | 1.00 | — | — | |
| SCHEMBL1425866 | 1.00 | — | — | |
| SCHEMBL685399 | 1.00 | — | — | |
| Formic Acid SCHEMBL29201435 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL11804695 | 0.85 | — | — | |
| SCHEMBL16032188 | 0.79 | — | — | |
| SCHEMBL1426612 | 0.79 | — | — | |
| SCHEMBL16033270 | 0.79 | — | — |
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-2010034105-A1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | disclosed |