⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1563874 | 0.74 | — | — | |
| SCHEMBL574547 | 0.74 | — | — | |
| SCHEMBL328947 | 0.68 | — | — | |
| SCHEMBL11578108 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL11578113 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL11578117 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL3917765 | 0.63 | — | — | |
| SCHEMBL13823418 | 0.63 | — | — | |
| SCHEMBL25045709 | 0.62 | — | — | |
| SCHEMBL27598127 | 0.62 | ALDH1A1 (0.36) | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8921359-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-12-30 | — | — | US | disclosed |
| US-8921359-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-12-30 | — | — | US | disclosed |
| US-8921359-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-12-30 | — | — | US | disclosed |
| EP-2324032-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2014-10-01 | — | — | EP | disclosed |
| EP-2324032-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2014-10-01 | — | — | EP | disclosed |
| US-20130317014-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2013-11-28 | — | — | US | disclosed |
| US-8450308-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2013-05-28 | — | — | US | disclosed |
| US-8450308-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2013-05-28 | — | — | US | disclosed |
| US-8450308-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2013-05-28 | — | — | US | disclosed |
| US-8389720-B2 | Quinolone neuropeptide S receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-03-05 | — | — | US | disclosed |
| EP-2324032-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010056564-A1 | QUINOLONE NEUROPEPTIDE S RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-05-20 | — | — | WO | disclosed |
| WO-2010056564-A1 | QUINOLONE NEUROPEPTIDE S RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-05-20 | — | — | WO | disclosed |
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |
| US-5403859-A | PHENYLENE-CYCLIC ETHER COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-04-04 | — | — | US | disclosed |
| EP-0375404-B1 | Heterocyclic derivatives | ICI PLC (GB) | 1994-02-09 | — | — | EP | disclosed |
| US-5234950-A | Antiallergens, antiinflammatory agents; cardiovascular disorders, antiarthritic | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-08-10 | — | — | US | disclosed |
| US-5098930-A | Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-03-24 | — | — | US | disclosed |
| EP-0375404-A2 | Heterocyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-06-27 | — | — | EP | disclosed |