⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2462321 | 0.90 | — | — | |
| SCHEMBL2460403 | 0.81 | BIRC2 (0.30) | — | |
| SCHEMBL2467195 | 0.78 | ITGB1 (0.41) | — | |
| SCHEMBL2403441 | 0.74 | MME (0.33) | — | |
| SCHEMBL2462316 | 0.64 | ITGB1 (0.43) | — | |
| SCHEMBL2467566 | 0.63 | NAALAD2 (0.42) | — | |
| SCHEMBL2460742 | 0.61 | ITGB1 (0.33) | — | |
| SCHEMBL13198959 | 0.61 | CA1 (0.42) | — | |
| SCHEMBL19460250 | 0.61 | CTSK (0.40) | — | |
| SCHEMBL9361145 | 0.58 | ALDH1A1 (0.56) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2937334-A1 | PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS | Promentis Pharmaceuticals, Inc. (US) | 2015-10-28 | — | — | EP | disclosed |
| US-8815905-B2 | Propionic acids, propionic acid esters, and related compounds | PROMENTIS PHARMACEUTICALS, INC. (US) | 2014-08-26 | — | — | US | disclosed |
| US-20110224156-A1 | Propionic Acids, Propionic Acid Esters, and Related Compounds | ALBANY MOLECULAR RESEARCH, INC. | 2011-09-15 | — | — | US | disclosed |