⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16979697 | 1.00 | — | — | |
| SCHEMBL16979720 | 0.96 | — | — | |
| SCHEMBL16979698 | 0.96 | — | — | |
| SCHEMBL18472299 | 0.96 | — | — | |
| SCHEMBL18472295 | 0.89 | — | — | |
| SCHEMBL18472294 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL16979727 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL18472296 | 0.87 | CNR2 (0.33) | — | |
| SCHEMBL16979732 | 0.87 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL18472279 | 0.87 | SMN1; SMN2 (0.32) | — |
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-10017459-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof | QUADRIGA BIOSCIENCES, INC. (US) | 2018-07-10 | — | — | US | disclosed |
| US-20170362166-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2017-12-21 | — | — | US | disclosed |
| US-9783487-B2 | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | QUADRIGA BIOSCIENCES, INC. (US) | 2017-10-10 | — | — | US | disclosed |
| US-20170036992-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2017-02-09 | — | — | US | disclosed |