⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11208405 | 0.83 | TRPA1 (0.37) | — | |
| SCHEMBL28668871 | 0.83 | TRPA1 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL4591099 | 0.80 | ALOX5 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL4604807 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL4590278 | 0.73 | GABRA1 (0.40) | — | |
| SCHEMBL10916725 | 0.72 | HSD17B1 (0.45) | — | |
| SCHEMBL2787180 | 0.71 | ALDH1A1 (0.45) | — | |
| SCHEMBL28162440 | 0.71 | HSD17B1 (0.45) | — | |
| SCHEMBL6013936 | 0.71 | HSD17B1 (0.45) | — | |
| SCHEMBL1482802 | 0.71 | PTPRC (0.55) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080244963-A1 | Lead-Free Aviation Fuel | TOTAL FRANCE (FR) | 2008-10-09 | — | — | US | claimed |
| US-20080244963-A1 | Lead-Free Aviation Fuel | TOTAL FRANCE (FR) | 2008-10-09 | — | — | US | disclosed |
| EP-1971668-A1 | LEAD-FREE AVIATION FUEL | Total France (FR) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007074226-A1 | LEAD-FREE AVIATION FUEL | TOTAL FRANCE (FR) | 2007-07-05 | — | — | WO | disclosed |
| US-7138555-B2 | Process for preparing iodoaromatic compounds and using the same | XEROX CORPORATION (US) | 2006-11-21 | — | — | US | disclosed |
| EP-1588997-A1 | Process for the preparation of iodoaromatic compounds | Xerox Corporation (US) | 2005-10-26 | — | — | EP | disclosed |
| US-20050234272-A1 | PROCESS FOR PREPARING IODOAROMATIC COMPOUNDS AND USING THE SAME | XEROX CORPORATION (US) | 2005-10-20 | — | — | US | disclosed |