⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5163675 | 0.84 | DDB1 (0.31) | — | |
| SCHEMBL2733229 | 0.82 | DDB1 (0.31) | — | |
| SCHEMBL7672452 | 0.66 | CTSK (0.32) | — | |
| SCHEMBL3958832 | 0.63 | CRBN (0.40) | — | |
| SCHEMBL3825820 | 0.63 | CRBN (0.40) | — | |
| SCHEMBL8069937 | 0.61 | ALDH1A1 (0.36) | — | |
| SCHEMBL278231 | 0.61 | CRBN (0.41) | — | |
| SCHEMBL346851 | 0.58 | CRBN (0.41) | — | |
| SCHEMBL6874432 | 0.58 | ALDH1A1 (0.52) | — | |
| SCHEMBL7632840 | 0.58 | ALDH1A1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4729039-B2 | — | — | 2011-07-20 | — | — | JP | claimed |
| EP-1765770-A1 | PROCESS FOR THE PREPARATION OF GABAPENTIN | ZAMBON GROUP S.p.A. (IT) | 2007-03-28 | — | — | EP | claimed |
| WO-2006000562-A1 | PROCESS FOR THE PREPARATION OF GABAPENTIN | ZAMBON GROUP S.P.A. (IT) | 2006-01-05 | — | — | WO | claimed |
| EP-1765770-A1 | PROCESS FOR THE PREPARATION OF GABAPENTIN | ZAMBON GROUP S.p.A. (IT) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006000562-A1 | PROCESS FOR THE PREPARATION OF GABAPENTIN | ZAMBON GROUP S.P.A. (IT) | 2006-01-05 | — | — | WO | disclosed |