⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7428738 | 0.82 | CTH (0.33) | — | |
| SCHEMBL84552 | 0.68 | — | — | |
| SCHEMBL6897080 | 0.68 | PTGS1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6883551 | 0.61 | CTH (0.33) | — | |
| Hydrochloric Acid SCHEMBL6885234 | 0.61 | CTH (0.33) | — | |
| SCHEMBL24508042 | 0.54 | APLNR (0.33) | — | |
| SCHEMBL20371752 | 0.53 | — | — | |
| SCHEMBL1395729 | 0.52 | ALDH1A1 (0.44) | — | |
| SCHEMBL6056331 | 0.50 | FDPS (0.41) | — | |
| SCHEMBL19604224 | 0.49 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002508362-A | — | — | 2002-03-19 | — | — | JP | claimed |
| 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 | claimed |
| 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 | claimed |