⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL251009 | 0.74 | — | — | |
| SCHEMBL9162642 | 0.74 | — | — | |
| SCHEMBL866217 | 0.73 | — | — | |
| SCHEMBL9169714 | 0.70 | — | — | |
| SCHEMBL2360677 | 0.69 | — | — | |
| Methyl Alcohol SCHEMBL10710151 | 0.68 | — | — | |
| SCHEMBL432209 | 0.67 | — | — | |
| SCHEMBL28503145 | 0.65 | — | — | |
| SCHEMBL471746 | 0.65 | THRB (0.31) | — | |
| SCHEMBL7947942 | 0.65 | FAAH (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0536266-B1 | PARTIALLY FLUORINATED ALKANES HAVING A TERTIARY STRUCTURE | ALLIED SIGNAL INC (US) | 1995-03-22 | — | — | EP | disclosed |
| US-5254755-A | Solvents, cleaning compounds | ALLIED-SIGNAL INC. (US) | 1993-10-19 | — | — | US | disclosed |
| EP-0536266-A1 | PARTIALLY FLUORINATED ALKANES HAVING A TERTIARY STRUCTURE. | ALLIED SIGNAL INC (US) | 1993-04-14 | — | — | EP | disclosed |
| WO-1992010454-A1 | PARTIALLY FLUORINATED ALKANOLS HAVING A TERTIARY STRUCTURE | ALLIED-SIGNAL INC. (US) | 1992-06-25 | — | — | WO | disclosed |
| US-5118359-A | Method of cleaning using partially fluorinated alkanes having a tertiary structure as solvent | ALLIED-SIGNAL INC. (US) | 1992-06-02 | — | — | US | disclosed |
| WO-1992000263-A1 | PARTIALLY FLUORINATED ALKANES HAVING A TERTIARY STRUCTURE | ALLIED-SIGNAL INC. (US) | 1992-01-09 | — | — | WO | disclosed |
| US-5059728-A | Solvents; industrial cleaning applications | ALLIED-SIGNAL INC. (US) | 1991-10-22 | — | — | US | disclosed |