⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1071553 | 0.84 | LMNA (0.31) | — | |
| Fluoride Ion SCHEMBL5014897 | 0.81 | — | — | |
| Water SCHEMBL2824897 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL11389158 | 0.81 | — | — | |
| Bromide SCHEMBL5150073 | 0.81 | — | — | |
| SCHEMBL637006 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL1415172 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL3308158 | 0.71 | TSHR (0.40) | — | |
| SCHEMBL3310909 | 0.71 | TSHR (0.40) | — | |
| Butane SCHEMBL31240952 | 0.71 | TSHR (0.33) | — |
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-20120130118-A1 | METHODS FOR PRODUCING AND USING A TETRAFLUOROTOLUENE COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-05-24 | — | — | US | disclosed |
| US-20110124923-A1 | TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-26 | — | — | US | disclosed |
| EP-1797953-B1 | PROCESS FOR PRODUCING OXYGENIC COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2011-01-05 | — | — | EP | disclosed |
| EP-1975147-A1 | TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2008-10-01 | — | — | EP | disclosed |
| US-20080064898-A1 | Method for Producing Oxygen-Containing Compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-03-13 | — | — | US | disclosed |
| US-7276622-B2 | Method for producing oxygen-containing compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-10-02 | — | — | US | disclosed |
| EP-1797953-A1 | PROCESS FOR PRODUCING OXYGENIC COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2007-06-20 | — | — | EP | disclosed |
| US-20060173221-A1 | Method for producing oxygen-containing compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-08-03 | — | — | US | disclosed |
| EP-1609777-A1 | METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2005-12-28 | — | — | EP | disclosed |