⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL627720 | 0.87 | LMNA (0.50) | — | |
| SCHEMBL25656353 | 0.77 | — | — | |
| SCHEMBL4971280 | 0.77 | — | — | |
| SCHEMBL936160 | 0.77 | — | — | |
| SCHEMBL1855207 | 0.75 | SLC7A5 (0.54) | — | |
| SCHEMBL2193910 | 0.73 | LMNA (0.50) | — | |
| SCHEMBL27689201 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL5610485 | 0.73 | OR51E2 (0.42) | — | |
| SCHEMBL1268132 | 0.71 | — | — | |
| SCHEMBL7528966 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999062865-A1 | HALOETHYL-2-[ (2,6-DICHLOROPHENYL) AMINO] PHENYLACETOXYACETATE DERIVATIVES AND THEIR USE AS AN INTERMEDIATE TO SYNTHESIZE ACECLOFENAC | KIM JAE CHUL (KR) | 1999-12-09 | — | — | WO | disclosed |