⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9164114 | 0.92 | — | — | |
| SCHEMBL14178401 | 0.82 | — | — | |
| SCHEMBL8636807 | 0.79 | — | — | |
| SCHEMBL14401552 | 0.75 | — | — | |
| SCHEMBL20779031 | 0.75 | — | — | |
| SCHEMBL21533888 | 0.75 | — | — | |
| SCHEMBL12836392 | 0.75 | — | — | |
| SCHEMBL5007892 | 0.73 | — | — | |
| SCHEMBL4490334 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL134970 | 0.71 | ALDH1A1 (0.36) | — |
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-5118359-A | Method of cleaning using partially fluorinated alkanes having a tertiary structure as solvent | ALLIED-SIGNAL INC. (US) | 1992-06-02 | — | — | US | claimed |
| US-5059728-A | Solvents; industrial cleaning applications | ALLIED-SIGNAL INC. (US) | 1991-10-22 | — | — | US | claimed |
| EP-0536266-B1 | PARTIALLY FLUORINATED ALKANES HAVING A TERTIARY STRUCTURE | ALLIED SIGNAL INC (US) | 1995-03-22 | — | — | EP | disclosed |
| EP-0536266-A1 | PARTIALLY FLUORINATED ALKANES HAVING A TERTIARY STRUCTURE. | ALLIED SIGNAL INC (US) | 1993-04-14 | — | — | EP | 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 |
| US-5118360-A | Method of cleaning using partially fluorinated alkenes having a tertiary structure as solvent | ALLIED-SIGNAL INC. | 1992-06-02 | — | — | US | disclosed |
| US-5087777-A | Solvents | ALLIED-SIGNAL INC. (US) | 1992-02-11 | — | — | 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 |