⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3429480 | 0.86 | — | — | |
| SCHEMBL920166 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL37134 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL7155455 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL465348 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL13596707 | 0.79 | — | — | |
| SCHEMBL25274501 | 0.77 | DNM1 (0.42) | — | |
| SCHEMBL25279644 | 0.77 | DNM1 (0.42) | — | |
| SCHEMBL16105079 | 0.77 | TSHR (0.40) | — | |
| SCHEMBL62158 | 0.77 | TSHR (0.41) | — |
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-20090320718-A1 | FLUOROSURFACTANTS | MERCK PATENT GESELLSCHAFT (DE) | 2009-12-31 | — | — | US | disclosed |
| WO-2008003447-A2 | FLUOROSURFACTANTS | MERCK PATENT GMBH (DE) | 2008-01-10 | — | — | WO | disclosed |