⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9076348 | 0.77 | — | — | |
| SCHEMBL945239 | 0.74 | — | — | |
| SCHEMBL5953881 | 0.67 | DPP4 (0.47) | — | |
| SCHEMBL5953887 | 0.67 | DPP4 (0.47) | — | |
| SCHEMBL7654333 | 0.66 | — | — | |
| SCHEMBL27593814 | 0.65 | SPHK1 (0.37) | — | |
| SCHEMBL8677957 | 0.65 | — | — | |
| SCHEMBL5847294 | 0.64 | — | — | |
| SCHEMBL8414719 | 0.64 | — | — | |
| SCHEMBL6973100 | 0.64 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1462450-B1 | Substituted morpholine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME (GB) | 2007-06-13 | — | — | EP | disclosed |
| US-7067535-B2 | 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis | TANABE SEIYAKU CO., LTD. (JP) | 2006-06-27 | — | — | US | disclosed |
| EP-1462450-A1 | Substituted morpholine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2004-09-29 | — | — | EP | disclosed |
| US-20040097548-A1 | 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis | TANABE SEIYAKI CO., LTD. (JP) | 2004-05-20 | — | — | US | disclosed |
| EP-1323713-A1 | 5-PHENYLBENZYLAMINE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND INTERMEDIATES FOR THEIR SYNTHESIS | TANABE SEIYAKU CO., LTD. (JP) | 2003-07-02 | — | — | EP | disclosed |
| EP-1099702-A1 | Substituted morpholine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2001-05-16 | — | — | EP | disclosed |
| US-5612337-A | ANALGESIC COMPOUNDS FOR PRODRUGS | MERCK SHARP & DOHME LIMITED (GB) | 1997-03-18 | — | — | US | disclosed |
| EP-0737192-A1 | SUBSTITUTED MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995018124-A1 | SUBSTITUTED MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-07-06 | — | — | WO | disclosed |