⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL973070 | 1.00 | — | — | |
| Bromide SCHEMBL6151546 | 0.96 | — | — | |
| SCHEMBL1890782 | 0.96 | — | — | |
| SCHEMBL5305550 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL5791033 | 0.96 | — | — | |
| SCHEMBL23039656 | 0.96 | — | — | |
| SCHEMBL11635281 | 0.96 | — | — | |
| SCHEMBL17099923 | 0.96 | — | — | |
| Iodide SCHEMBL8817348 | 0.96 | — | — | |
| Hydrogen Sulfide SCHEMBL2942408 | 0.96 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140038872-A1 | METHOD FOR IMPROVING NITRILE SEAL COMPATIBILITY WITH LUBRICATING OILS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2014-02-06 | — | — | US | disclosed |
| CN-102687299-A | Composition for the preparation of organic electronic (oe) devices | MERCK PATENT GMBH | 2012-09-19 | — | — | CN | disclosed |
| EP-2125711-A1 | 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | Albireo Ab (SE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008108735-A1 | 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALBIREO AB (SE) | 2008-09-12 | — | — | WO | disclosed |