⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9418534 | 1.00 | — | — | |
| SCHEMBL17300577 | 1.00 | — | — | |
| SCHEMBL4111307 | 1.00 | — | — | |
| SCHEMBL4032941 | 0.95 | — | — | |
| SCHEMBL10378545 | 0.89 | — | — | |
| SCHEMBL9144878 | 0.89 | — | — | |
| SCHEMBL2801758 | 0.89 | — | — | |
| SCHEMBL31280676 | 0.84 | — | — | |
| SCHEMBL10336746 | 0.83 | — | — | |
| SCHEMBL6286566 | 0.83 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5120459-A | Functional fluids | MONSANTO COMPANY (US) | 1992-06-09 | — | — | US | disclosed |
| US-5076949-A | Novel perfluorinated polyethers and process for their preparation | MONSANTO COMPANY (US) | 1991-12-31 | — | — | US | disclosed |
| US-4996369-A | Perfluoroheptaglyme dimer; lubricants; heat exchangers; vacuum pump oils | MONSANTO COMPANY (US) | 1991-02-26 | — | — | US | disclosed |
| EP-0332601-A1 | Novel perfluorinated polyethers and process for their preparation | Monsanto Company (US) | 1989-09-13 | — | — | EP | disclosed |