⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6044510 | 0.80 | — | — | |
| SCHEMBL10399664 | 0.80 | — | — | |
| SCHEMBL10400018 | 0.75 | — | — | |
| SCHEMBL294253 | 0.75 | — | — | |
| SCHEMBL4807016 | 0.70 | LMNA (0.40) | — | |
| SCHEMBL8080704 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL5513240 | 0.68 | — | — | |
| SCHEMBL7743500 | 0.65 | — | — | |
| SCHEMBL6285511 | 0.65 | LMNA (0.42) | — | |
| SCHEMBL3233600 | 0.65 | LMNA (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012083107-A2 | FLUORINE-CONTAINING POLYMER COMPRISING A SULFINATE-CONTAINING MOLECULE | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2012-06-21 | — | — | WO | disclosed |
| US-4931487-A | Chain extenders for polyurethanes | DOW CHEMICAL COMPANY | 1990-06-05 | — | — | US | disclosed |