⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27566810 | 0.78 | — | — | |
| SCHEMBL27519507 | 0.75 | — | — | |
| SCHEMBL27519242 | 0.73 | — | — | |
| SCHEMBL27566812 | 0.73 | USP2 (0.31) | — | |
| SCHEMBL27546607 | 0.71 | — | — | |
| SCHEMBL27518636 | 0.69 | — | — | |
| SCHEMBL5038657 | 0.68 | FUCA1 (0.32) | — | |
| SCHEMBL2100556 | 0.63 | USP2 (0.30) | — | |
| SCHEMBL5388566 | 0.61 | — | — | |
| SCHEMBL5398420 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1495160-A | I-substituted-1-aminomethyl-cycloalkane derivative (gabapentin analogs), its preparation and application for curing neuropathy | ��ʲ | 2004-05-12 | — | — | CN | claimed |
| CN-1279674-A | 1-substituted-1-aminomethyl-cycloalkane derivatives (= gabapentin analogues), their preparation and their use in the treatment of neurological disorders | WARNER LAMBERT CO (US) | 2001-01-10 | — | — | CN | claimed |
| CN-1495160-A | I-substituted-1-aminomethyl-cycloalkane derivative (gabapentin analogs), its preparation and application for curing neuropathy | ��ʲ | 2004-05-12 | — | — | CN | disclosed |
| 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 |
| CN-1279674-A | 1-substituted-1-aminomethyl-cycloalkane derivatives (= gabapentin analogues), their preparation and their use in the treatment of neurological disorders | WARNER LAMBERT CO (US) | 2001-01-10 | — | — | CN | disclosed |