⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19795474 | 0.89 | HSD17B10 (0.31) | — | |
| SCHEMBL1785464 | 0.88 | TSHR (0.35) | — | |
| SCHEMBL1787544 | 0.84 | HTT (0.38) | — | |
| SCHEMBL10457911 | 0.83 | — | — | |
| SCHEMBL1784131 | 0.82 | MEN1 (0.31) | — | |
| SCHEMBL1785845 | 0.81 | HSD17B10 (0.31) | — | |
| SCHEMBL10579739 | 0.81 | — | — | |
| SCHEMBL27600529 | 0.78 | — | — | |
| SCHEMBL10577057 | 0.77 | PTPN1 (0.37) | — | |
| SCHEMBL4862168 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101346334-B | Tetrafluorotoluene compound, method for producing same and use thereof | SUMITOMO CO LTD | 2013-04-24 | — | — | CN | disclosed |
| 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 |
| CN-101346334-A | Tetrafluorotoluene compound, method for producing same and use thereof | SUMITOMO CHEMICAL CO (JP) | 2009-01-14 | — | — | CN | disclosed |
| EP-1975147-A1 | TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2008-10-01 | — | — | EP | disclosed |