⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48527 | 0.83 | ALDH1A1 (0.47) | — | |
| SCHEMBL13900609 | 0.80 | — | — | |
| SCHEMBL6535087 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL11458094 | 0.77 | — | — | |
| SCHEMBL10734577 | 0.75 | — | — | |
| Propionic Acid SCHEMBL2493330 | 0.75 | FFAR3 (0.62) | — | |
| SCHEMBL445066 | 0.75 | — | — | |
| SCHEMBL23829519 | 0.73 | — | — | |
| SCHEMBL68311 | 0.73 | — | — | |
| SCHEMBL28480431 | 0.73 | ALDH1A1 (0.45) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105950259-A | ESTERS FOR USE AS A BASE STOCK AND IN LUBRICANT APPLICATIONS | 特伦特大学 | 2016-09-21 | — | — | CN | disclosed |
| CN-103492356-B | Esters as base oils and their use in lubricants | TRENT UNIVERSITY (CA) | 2016-03-02 | — | — | CN | disclosed |
| US-8975235-B2 | Lysophosphatidic acid receptor antagonists | INTERMUNE, INC. (US) | 2015-03-10 | — | — | US | disclosed |
| CN-103492356-A | Esters as base oils and their use in lubricants | TRENT UNIVERSITY | 2014-01-01 | — | — | CN | disclosed |
| US-20130072449-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. (US) | 2013-03-21 | — | — | US | disclosed |
| EP-1734082-B1 | MONOAZO/IRON COMPLEX COMPOUND, CHARGE CONTROL AGENT COMPRISING THE SAME, AND TONER | HODOGAYA CHEMICAL CO LTD (JP) | 2011-10-19 | — | — | EP | disclosed |
| US-20110212053-A1 | PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS | PROGENICS PHARMACEUTICALS, INC. | 2011-09-01 | — | — | US | disclosed |
| US-7402369-B2 | Mono azo iron complex compound, and charge controlling agent and toner using the same | HODOGAYA CHEMICAL CO., LTD. (JP) | 2008-07-22 | — | — | US | disclosed |
| US-20070020547-A1 | Mono azo iron complex compound, and charge controlling agent and toner using the same | HODOGAYA CHEMICAL CO., LTD. | 2007-01-25 | — | — | US | disclosed |
| EP-1734082-A1 | MONOAZO/IRON COMPLEX COMPOUND, CHARGE CONTROL AGENT COMPRISING THE SAME, AND TONER | Hodogaya Chemical Co., Ltd. (JP) | 2006-12-20 | — | — | EP | disclosed |