⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5899758 | 0.88 | — | — | |
| SCHEMBL5899605 | 0.78 | GRM2 (0.31) | — | |
| SCHEMBL5899735 | 0.75 | SLC6A2 (0.34) | — | |
| SCHEMBL5899586 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5641893 | 0.73 | SLC6A2 (0.33) | — | |
| SCHEMBL5899724 | 0.68 | CPB2 (0.32) | — | |
| SCHEMBL4654318 | 0.65 | SHBG (0.35) | — | |
| SCHEMBL5899581 | 0.65 | GRM2 (0.33) | — | |
| SCHEMBL5323367 | 0.65 | — | — | |
| SCHEMBL3546456 | 0.64 | GRM2 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7030267-B2 | Cycloproply β-amino acid derivatives | WARNER-LAMBERT COMPANY, LLC (US) | 2006-04-18 | — | — | US | claimed |
| US-20040147608-A1 | Cyclopropyl beta-amino acid derivatives | SCHWARZ JACOB BRADLEY (US) | 2004-07-29 | — | — | US | claimed |
| US-7030267-B2 | Cycloproply β-amino acid derivatives | WARNER-LAMBERT COMPANY, LLC (US) | 2006-04-18 | — | — | US | disclosed |
| US-20040147608-A1 | Cyclopropyl beta-amino acid derivatives | SCHWARZ JACOB BRADLEY (US) | 2004-07-29 | — | — | US | disclosed |