⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL804652 | 0.74 | — | — | |
| SCHEMBL636022 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL786087 | 0.69 | — | — | |
| SCHEMBL804785 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL18881296 | 0.69 | — | — | |
| SCHEMBL873901 | 0.69 | — | — | |
| SCHEMBL50965 | 0.67 | — | — | |
| SCHEMBL23173839 | 0.67 | CA12 (0.46) | — | |
| SCHEMBL13729390 | 0.67 | FFAR3 (0.35) | — | |
| SCHEMBL6864014 | 0.67 | DHFR (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011063502-A1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-03 | — | — | WO | disclosed |
| WO-2011063501-A1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-03 | — | — | WO | disclosed |