⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10046801 | 0.86 | GPR35 (0.31) | — | |
| SCHEMBL12040555 | 0.85 | MAPT (0.32) | — | |
| SCHEMBL10194502 | 0.85 | — | — | |
| SCHEMBL10272018 | 0.79 | ACACB (0.30) | — | |
| SCHEMBL13360904 | 0.78 | NPC1 (0.30) | — | |
| SCHEMBL13763773 | 0.78 | CYP19A1 (0.33) | — | |
| SCHEMBL10303838 | 0.74 | CYP19A1 (0.32) | — | |
| SCHEMBL8381869 | 0.74 | KMT2A (0.32) | — | |
| SCHEMBL998934 | 0.73 | MAPT (0.34) | — | |
| SCHEMBL8149455 | 0.68 | KDM4E (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8148399-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2012-04-03 | — | — | US | disclosed |
| US-20110295012-A1 | Macrocyclic Inhibitors Of Hepatitis C Virus | JANSSEN SCIENCES IRELAND UC (IE) | 2011-12-01 | — | — | US | disclosed |
| US-20090281140-A1 | Macrocyclic inhibitors of hepatitis c virus | MEDIVIR AB (SE) | 2009-11-12 | — | — | US | disclosed |