⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31474906 | 0.98 | — | — | |
| SCHEMBL9407918 | 0.84 | — | — | |
| SCHEMBL20165765 | 0.84 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL156109 | 0.77 | — | — | |
| SCHEMBL4134804 | 0.75 | — | — | |
| SCHEMBL2886821 | 0.75 | THRB (0.32) | — | |
| SCHEMBL10712793 | 0.75 | THRB (0.32) | — | |
| SCHEMBL31474905 | 0.75 | CES2 (0.30) | — | |
| SCHEMBL155022 | 0.75 | THRB (0.32) | — | |
| SCHEMBL8084647 | 0.75 | THRB (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110092410-A1 | FLUOROALKYL PHOSPHATE COMPOSITIONS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-04-21 | — | — | US | disclosed |
| US-20110091408-A1 | METHODS OF USING FLUOROALKYL PHOSPHATE COMPOSITIONS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-04-21 | — | — | US | disclosed |