⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3103329 | 1.00 | — | — | |
| SCHEMBL6939034 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL27605286 | 0.78 | — | — | |
| SCHEMBL20204382 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL16739275 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL16739278 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL15395937 | 0.76 | — | — | |
| SCHEMBL8024507 | 0.76 | — | — | |
| SCHEMBL6292154 | 0.76 | — | — | |
| SCHEMBL28260527 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999067209-A1 | HYDROXIMIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREFOR | HOECHST SCHERING AGREVO GMBH (DE) | 1999-12-29 | — | — | WO | disclosed |
| EP-0741693-B1 | PROCESS FOR THE PREPARATION OF ARYLACETIC ESTER DERIVATIVES VIA PALLADIUM-CATALYZED CROSS COUPLING REACTION | NOVARTIS AG (CH) | 1999-03-24 | — | — | EP | disclosed |
| US-5726343-A | REACTION OF A BORONIC ACID COMPOUND WITH A METHOXYIMINOACETIC ESTER, INSECTICIDES, MICROBIOCIDES | NOVARTIS CORPORATION (US) | 1998-03-10 | — | — | US | disclosed |
| EP-0741693-A1 | PROCESS FOR THE PREPARATION OF ARYLACETIC ESTER DERIVATIVES VIA PALLADIUM-CATALYZED CROSS COUPLING REACTION | Novartis AG (CH) | 1996-11-13 | — | — | EP | disclosed |
| WO-1995020569-A1 | PROCESS FOR THE PREPARATION OF ARYLACETIC ESTER DERIVATIVES VIA PALLADIUM-CATALYZED CROSS COUPLING REACTION | CIBA-GEIGY AG (CH) | 1995-08-03 | — | — | WO | disclosed |