⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL387219 | 0.80 | — | — | |
| Methane SCHEMBL20237365 | 0.76 | — | — | |
| SCHEMBL109498 | 0.68 | — | — | |
| Ethylene Glycol SCHEMBL5516431 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL50228 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL4955809 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL27175 | 0.65 | — | — | |
| SCHEMBL21624980 | 0.65 | ALDH1A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL19896206 | 0.65 | — | — | |
| SCHEMBL4269935 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0419312-B1 | METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE 2-ARYL-PROPIONIC ACIDS | RHONE-POULENC SANTE (FR) | 1993-08-04 | — | — | EP | claimed |
| EP-0419312-A1 | Method for the production of optically active 2-aryl-propionic acids | RHONE-POULENC SANTE (FR) | 1991-03-27 | — | — | EP | claimed |