⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8639745 | 0.79 | — | — | |
| SCHEMBL27823980 | 0.75 | KCNN4 (0.36) | — | |
| Hydrochloric Acid SCHEMBL10927712 | 0.74 | KCNN4 (0.35) | — | |
| SCHEMBL15999961 | 0.72 | KCNN4 (0.36) | — | |
| SCHEMBL179276 | 0.72 | — | — | |
| SCHEMBL14822468 | 0.72 | KCNN4 (0.36) | — | |
| SCHEMBL7694127 | 0.72 | KCNN4 (0.36) | — | |
| SCHEMBL6901738 | 0.72 | KCNN4 (0.36) | — | |
| SCHEMBL22924802 | 0.72 | — | — | |
| SCHEMBL7513783 | 0.72 | KCNN4 (0.36) | — |
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-0729930-B1 | Process for the synthesis of hydrocarbons fluorinated on a carbon of an alkyl chain | RHODIA CHIMIE SA (FR) | 2003-12-17 | — | — | EP | disclosed |
| EP-0729930-A1 | Process for the synthesis of hydrocarbons fluorinated on a carbon of an alkyl chain | RHONE-POULENC CHIMIE (FR) | 1996-09-04 | — | — | EP | disclosed |