⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4766570 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL707614 | 0.87 | — | — | |
| SCHEMBL16497050 | 0.86 | DNM1 (0.32) | — | |
| SCHEMBL27626696 | 0.82 | TRPM8 (0.30) | — | |
| SCHEMBL16497265 | 0.80 | CTSK (0.32) | — | |
| SCHEMBL4770326 | 0.80 | LMNA (0.42) | — | |
| SCHEMBL11225910 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL705781 | 0.77 | DNM1 (0.36) | — | |
| SCHEMBL4770206 | 0.77 | — | — | |
| SCHEMBL28506772 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7309799-B2 | Methods for the synthesis of milnacipran and congeners thereof | COLLEGIUM PHARMACEUTICAL, INC. (US) | 2007-12-18 | — | — | US | disclosed |
| US-20050282898-A1 | Methods for the synthesis of milnacipran and congeners thereof | COLLEGIUM PHARMACEUTICAL (US) | 2005-12-22 | — | — | US | disclosed |
| WO-2005118564-A2 | METHODS FOR THE SYNTHESIS OF MILNACIPRAN AND CONGENERS THEREOF | COLLEGIUM PHARMACEUTICAL, INC. (US) | 2005-12-15 | — | — | WO | disclosed |
| US-20030072716-A1 | Renewable, carbohydrate based CO2-philes | POOVATHINTHODIYIL RAVEENDRAN (US) | 2003-04-17 | — | — | US | disclosed |
| WO-2003000192-A2 | RENEWABLE, CARBOHYDRATE BASED CO2-PHILES | POOVATHINTHODIYIL RAVEENDRAN (US) | 2003-01-03 | — | — | WO | disclosed |
| US-5817590-A | METALLOCENE, IONIZING IONIC COMPOUND, ORGANOALUMINUM COMPOUND, LEWIS BASE | TOSOH CORPORATION (JP) | 1998-10-06 | — | — | US | disclosed |
| EP-0648786-B1 | Process for producing alpha-olefin polymer | TOSOH CORP (JP) | 1997-07-16 | — | — | EP | disclosed |
| US-5576259-A | POLYMERIZATION CATALYST INCLUDING METALLOCENE COMPOUND, IONIC COMPOUND, ORGANOALUMINUM COMPOUND, AND LEWIS BASE | TOSOH CORPORATION (JP) | 1996-11-19 | — | — | US | disclosed |
| EP-0648786-A1 | Process for producing alpha-olefin polymer | Tosoh Corporation (JP) | 1995-04-19 | — | — | EP | disclosed |