⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3655812 | 0.79 | — | — | |
| SCHEMBL18677097 | 0.71 | — | — | |
| SCHEMBL22167629 | 0.69 | TAS1R3 (0.30) | — | |
| SCHEMBL819228 | 0.69 | — | — | |
| SCHEMBL819229 | 0.69 | — | — | |
| SCHEMBL43207 | 0.69 | — | — | |
| SCHEMBL12714083 | 0.69 | — | — | |
| SCHEMBL18886743 | 0.69 | — | — | |
| SCHEMBL103982 | 0.69 | — | — | |
| SCHEMBL11933632 | 0.67 | GABRP (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3000833-B1 | MICELLES COMPRISING A TRIBLOCK COPOLYMER AND A THERAPEUTIC AGENT | INTEZYNE TECH INC (US) | 2019-09-04 | — | — | EP | disclosed |
| US-8236807-B2 | Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2012-08-07 | — | — | US | disclosed |
| US-20100015092-A1 | QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | NAKAJIMA SUANNE | 2010-01-21 | — | — | US | disclosed |