⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15062108 | 1.00 | — | — | |
| SCHEMBL772885 | 1.00 | — | — | |
| SCHEMBL9197226 | 1.00 | — | — | |
| SCHEMBL5481927 | 1.00 | — | — | |
| SCHEMBL11501519 | 0.92 | KDM4E (0.46) | — | |
| SCHEMBL10268948 | 0.92 | KDM4E (0.46) | — | |
| SCHEMBL21727237 | 0.92 | KDM4E (0.46) | — | |
| SCHEMBL12909388 | 0.92 | KDM4E (0.46) | — | |
| SCHEMBL2904322 | 0.92 | KDM4E (0.46) | — | |
| SCHEMBL11501520 | 0.92 | KDM4E (0.46) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2917185-B1 | SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS | EVOTEC INT GMBH (DE) | 2017-05-10 | — | — | EP | disclosed |
| US-20170088583-A1 | MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS | ENANTA PHARM INC (US) | 2017-03-30 | — | — | US | disclosed |
| US-9220748-B2 | Macrocyclic proline derived HCV serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2015-12-29 | — | — | US | disclosed |
| US-20140194350-A1 | MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2014-07-10 | — | — | US | disclosed |
| WO-2014072244-A1 | SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-05-15 | — | — | WO | disclosed |
| US-20120070416-A1 | Macrocyclic Proline Derived HCV Serine Protease Inhibitors | ENANTA PHARMACEUTICALS, INC. | 2012-03-22 | — | — | US | disclosed |
| EP-0385663-B1 | Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase | ZENECA LTD (GB) | 1995-12-06 | — | — | EP | disclosed |
| EP-0385663-A2 | Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase | ZENECA LIMITED (GB) | 1990-09-05 | — | — | EP | disclosed |