⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2058366 | 0.78 | — | — | |
| SCHEMBL6613927 | 0.76 | — | — | |
| SCHEMBL4237840 | 0.74 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL4415504 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL17378577 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL7236285 | 0.72 | — | — | |
| SCHEMBL30305771 | 0.72 | — | — | |
| SCHEMBL30305765 | 0.72 | — | — | |
| SCHEMBL2058166 | 0.71 | TDP1 (0.38) | — | |
| SCHEMBL3032234 | 0.69 | — | — |
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-20090320718-A1 | FLUOROSURFACTANTS | MERCK PATENT GESELLSCHAFT (DE) | 2009-12-31 | — | — | US | disclosed |