⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31512525 | 0.97 | DRD3 (0.39) | — | |
| SCHEMBL4934409 | 0.97 | — | — | |
| SCHEMBL1352840 | 0.94 | — | — | |
| SCHEMBL871135 | 0.88 | — | — | |
| SCHEMBL10881206 | 0.82 | DRD3 (0.43) | — | |
| SCHEMBL12019294 | 0.70 | — | — | |
| SCHEMBL14824034 | 0.70 | — | — | |
| SCHEMBL16098570 | 0.69 | — | — | |
| SCHEMBL16098571 | 0.69 | — | — | |
| SCHEMBL8083446 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1131855-C | 1-substituted-1-aminomethyl-cycloalkane derivatives (= gabapentin analogues), their preparation and their use in the treatment of neurological disorders | WARNER-LAMBERT CO. (US) | 2003-12-24 | — | — | CN | disclosed |