⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3351759 | 0.96 | — | — | |
| SCHEMBL4849399 | 0.92 | — | — | |
| SCHEMBL5162473 | 0.80 | — | — | |
| SCHEMBL10386372 | 0.77 | — | — | |
| SCHEMBL5610978 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL4857705 | 0.76 | THRB (0.38) | — | |
| SCHEMBL4857628 | 0.76 | THRB (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL901584 | 0.75 | — | — | |
| Trifluoroacetic Acid SCHEMBL11072459 | 0.75 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL11001675 | 0.75 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-7414148-B2 | Process for producing alkoxycarbonylfluoroalkanesulfonates | CENTRAL GLASS COMPANY LIMITED (JP) | 2008-08-19 | — | — | US | disclosed |
| US-20080108846-A1 | PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES | CENTRAL GLASS COMPANY, LIMITED (JP) | 2008-05-08 | — | — | US | disclosed |