⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10000432 | 0.99 | — | — | |
| SCHEMBL17029086 | 0.94 | — | — | |
| SCHEMBL10000427 | 0.86 | — | — | |
| SCHEMBL25899082 | 0.86 | THRB (0.31) | — | |
| SCHEMBL3151225 | 0.85 | RECQL (0.35) | — | |
| SCHEMBL15805932 | 0.83 | RECQL (0.36) | — | |
| SCHEMBL10000426 | 0.81 | — | — | |
| SCHEMBL9128552 | 0.79 | RECQL (0.37) | — | |
| SCHEMBL10021953 | 0.77 | — | — | |
| SCHEMBL28614839 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9115062-B2 | Fluorosurfactants | MERCK PATENT GMBH (DE) | 2015-08-25 | — | — | US | disclosed |
| US-9115062-B2 | Fluorosurfactants | MERCK PATENT GMBH (DE) | 2015-08-25 | — | — | US | disclosed |
| US-20120111233-A1 | FLUOROSURFACTANTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-05-10 | — | — | US | disclosed |