⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7420848 | 1.00 | — | — | |
| SCHEMBL5394110 | 0.96 | — | — | |
| SCHEMBL5397719 | 0.96 | — | — | |
| SCHEMBL5394114 | 0.96 | — | — | |
| SCHEMBL5386048 | 0.91 | ALDH1A1 (0.31) | — | |
| SCHEMBL7429187 | 0.75 | USP2 (0.33) | — | |
| SCHEMBL5394762 | 0.75 | TSHR (0.47) | — | |
| SCHEMBL5394737 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL5388073 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL6886158 | 0.73 | — | — |
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-1047678-A1 | 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | Warner-Lambert Company LLC (US) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999031075-A1 | 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | WARNER-LAMBERT COMPANY (US) | 1999-06-24 | — | — | WO | disclosed |