⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL92195 | 0.83 | — | — | |
| SCHEMBL17123476 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL15851481 | 0.77 | — | — | |
| SCHEMBL1753464 | 0.77 | — | — | |
| SCHEMBL92439 | 0.76 | — | — | |
| SCHEMBL22077362 | 0.74 | — | — | |
| SCHEMBL12148829 | 0.73 | — | — | |
| SCHEMBL14883740 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL10013511 | 0.72 | — | — | |
| SCHEMBL9331248 | 0.71 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8791254-B2 | Cyclic hydrofluoroether compounds and processes for their preparation and use | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2014-07-29 | — | — | US | disclosed |