⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27276384 | 0.75 | — | — | |
| SCHEMBL4390587 | 0.72 | — | — | |
| SCHEMBL20506919 | 0.72 | — | — | |
| SCHEMBL6261934 | 0.65 | — | — | |
| SCHEMBL10842136 | 0.64 | — | — | |
| SCHEMBL8580127 | 0.61 | — | — | |
| SCHEMBL9281870 | 0.59 | — | — | |
| SCHEMBL1307382 | 0.56 | — | — | |
| SCHEMBL6980831 | 0.56 | — | — | |
| SCHEMBL11693275 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6683205-B2 | FROM ARYLCARBOXYALDEHYDES OR 2-ARYL-3-HYDROXYPROPENOIC ACIDS | WISYS TECHNOLOGY FOUNDATION, INC. | 2004-01-27 | — | — | US | disclosed |
| US-20020120153-A1 | Synthesis of 2-aryl propenoic acid esters for the production of non-steroidal anti-inflammatory drugs | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-08-29 | — | — | US | disclosed |