⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1053899 | 0.75 | — | — | |
| SCHEMBL21963487 | 0.71 | — | — | |
| SCHEMBL8841150 | 0.65 | MEN1 (0.42) | — | |
| Perfluorocyclobutane SCHEMBL8841181 | 0.65 | MEN1 (0.42) | — | |
| Perflubutane SCHEMBL7701005 | 0.58 | LMNA (0.41) | — | |
| Perflubutane SCHEMBL5190215 | 0.58 | LMNA (0.41) | — | |
| Perfluorocyclobutane SCHEMBL8728333 | 0.58 | MEN1 (0.36) | — | |
| SCHEMBL1483936 | 0.56 | MEN1 (0.33) | — | |
| SCHEMBL733455 | 0.56 | MEN1 (0.33) | — | |
| SCHEMBL8569526 | 0.56 | MEN1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017099956-A1 | FUNCTIONAL FLUID COMPOSITIONS CONTAINING EROSION INHIBITORS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2017-06-15 | — | — | WO | disclosed |
| US-20170158981-A1 | FUNCTIONAL FLUID COMPOSITIONS CONTAINING EROSION INHIBITORS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2017-06-08 | — | — | US | disclosed |
| US-4302346-A | Erosion-inhibited functional fluid | CHEVRON RESEARCH COMPANY (US) | 1981-11-24 | — | — | US | disclosed |