⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14268004 | 0.83 | POLB (0.31) | — | |
| SCHEMBL28776893 | 0.81 | THRA (0.34) | — | |
| SCHEMBL16291780 | 0.79 | NQO1 (0.38) | — | |
| SCHEMBL12232722 | 0.77 | NQO1 (0.36) | — | |
| SCHEMBL22129200 | 0.76 | MEN1 (0.34) | — | |
| SCHEMBL28069408 | 0.76 | HSD17B10 (0.32) | — | |
| SCHEMBL5327956 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL1756535 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL31644455 | 0.73 | LMNA (0.56) | — | |
| SCHEMBL10062885 | 0.71 | POLB (0.39) | — |
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 3 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-20120149693-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| CN-101346334-A | Tetrafluorotoluene compound, method for producing same and use thereof | SUMITOMO CHEMICAL CO (JP) | 2009-01-14 | — | — | CN | disclosed |