⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2437009 | 1.00 | — | — | |
| SCHEMBL11292223 | 0.87 | NAAA (0.44) | — | |
| SCHEMBL8744195 | 0.87 | NAAA (0.44) | — | |
| SCHEMBL8744192 | 0.87 | NAAA (0.44) | — | |
| SCHEMBL17607293 | 0.87 | PTGS1 (0.36) | — | |
| SCHEMBL448049 | 0.85 | ADRA2A (0.41) | — | |
| SCHEMBL4216701 | 0.85 | NAAA (0.36) | — | |
| SCHEMBL4216699 | 0.85 | NAAA (0.36) | — | |
| SCHEMBL3504118 | 0.85 | NAAA (0.36) | — | |
| SCHEMBL1695438 | 0.84 | ALDH1A1 (0.48) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2582453-B1 | TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS | ECOSYNTH NV (BE) | 2016-12-28 | — | — | EP | disclosed |
| US-8865931-B2 | Transesterification process using mixed salt acetylacetonates catalysts | ECOSYNTH BVBA (BE) | 2014-10-21 | — | — | US | disclosed |
| EP-2582453-A2 | TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS | Ecosynth BVBA (BE) | 2013-04-24 | — | — | EP | disclosed |
| US-20130090492-A1 | TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS | ECOSYNTH BVBA (BE) | 2013-04-11 | — | — | US | disclosed |
| WO-2011157645-A2 | TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS | ECOSYNTH BVBA (BE) | 2011-12-22 | — | — | WO | disclosed |
| US-20100179140-A1 | INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2010-07-15 | — | — | US | disclosed |
| US-7652028-B2 | Indenoisoquinolinone analogs and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION (US) | 2010-01-26 | — | — | US | disclosed |
| US-20070049555-A1 | Indenoisoquinolinone analogs and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION (US) | 2007-03-01 | — | — | US | disclosed |
| EP-0523543-B1 | Chiral piperazine derivatives | HOFFMANN LA ROCHE (CH) | 1996-02-07 | — | — | EP | disclosed |
| US-5356559-A | Optically active piperazinyl derivatives as liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1994-10-18 | — | — | US | disclosed |
| EP-0523543-A1 | Chiral piperazine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1993-01-20 | — | — | EP | disclosed |
| US-4168379-A | Pyridin-3-ols | BASF AKTIENGESELLSCHAFT (DE) | 1979-09-18 | — | — | US | disclosed |
| US-4112235-A | Transesterification of carboxylic acids | UOP INC. (US) | 1978-09-05 | — | — | US | disclosed |