⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11297795 | 0.88 | ALDH1A1 (0.41) | — | |
| SCHEMBL9340905 | 0.86 | CES2 (0.48) | — | |
| SCHEMBL6004493 | 0.79 | — | — | |
| SCHEMBL8009726 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL27419596 | 0.78 | CES2 (0.43) | — | |
| SCHEMBL7823505 | 0.78 | — | — | |
| SCHEMBL5748868 | 0.78 | — | — | |
| SCHEMBL8612393 | 0.76 | TDP1 (0.40) | — | |
| SCHEMBL1114619 | 0.76 | — | — | |
| SCHEMBL11319107 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1089962-A1 | 2-FLUORO-2-ALKYL ALKANOAMIDES WITH ANTICONVULSANT ACTIVITY | AMERICAN BIOGENETIC SCIENCES, INC. (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999067199-A1 | 2-FLUORO-2-ALKYL ALKANOAMIDES WITH ANTICONVULSANT ACTIVITY | AMERICAN BIOGENETIC SCIENCES INC. (US) | 1999-12-29 | — | — | WO | disclosed |