⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL93456 | 0.83 | TSHR (0.64) | — | |
| Pyridine SCHEMBL28413811 | 0.83 | — | — | |
| Benzene SCHEMBL28903529 | 0.83 | TSHR (0.64) | — | |
| Pyridine SCHEMBL28067297 | 0.82 | NAPRT (0.90) | — | |
| Pyridine SCHEMBL6532110 | 0.82 | — | — | |
| Pyridine SCHEMBL6743426 | 0.80 | — | — | |
| Pyridine SCHEMBL3520960 | 0.80 | — | — | |
| Pyridine SCHEMBL571033 | 0.80 | — | — | |
| Pyridine SCHEMBL5508547 | 0.80 | — | — | |
| Pyridine SCHEMBL7938666 | 0.80 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1183148-C | Selective crystallization of 3-pyridyl-1-hydroxyethylidene-1, 1-bisphosphonic acid sodium 2.5 hydrate or monohydrate | — | 2005-01-05 | — | — | CN | claimed |
| EP-2070534-A2 | Cyclopropyl and cyclobutyl epothilone analogs | Novartis Ag (CH) | 2009-06-17 | — | — | EP | disclosed |
| CN-100439377-C | Method for controlling crystal structure of risedronate | PROCTER & GAMBLE (US) | 2008-12-03 | — | — | CN | disclosed |
| EP-1420780-B1 | CYCLOPROPYL AND CYCLOBUTYL EPOTHILONE ANALOGS | NOVARTIS AG (CH) | 2008-10-01 | — | — | EP | disclosed |
| US-7358266-B2 | Macromolecules such as (12R,13S,15S)-cyclopropyl 5-methyl-pyridine epothilone A, used as tubulin polymerization promoters and for cytolysis cancer cells; antiproliferative agents | THE SCRIPPS RESEARCH INSTITUTE (US) | 2008-04-15 | — | — | US | disclosed |
| CN-1823078-A | Process for controlling crystal structure of risedronate | PROCTER & GAMBLE (US) | 2006-08-23 | — | — | CN | disclosed |
| CN-1183148-C | Selective crystallization of 3-pyridyl-1-hydroxyethylidene-1, 1-bisphosphonic acid sodium 2.5 hydrate or monohydrate | — | 2005-01-05 | — | — | CN | disclosed |
| EP-1420780-A2 | CYCLOPROPYL AND CYCLOBUTYL EPOTHILONE ANALOGS | Novartis AG (CH) | 2004-05-26 | — | — | EP | disclosed |
| US-20040039026-A1 | Cyclopropyl and cyclobutyl epothilone analogs | THE SCRIPPS RESEARCH INSTITUTE | 2004-02-26 | — | — | US | disclosed |
| WO-2003018002-A2 | CYCLOPROPYL AND CYCLOBUTYL EPOTHILONE ANALOGS | NOVARTIS AG (CH) | 2003-03-06 | — | — | WO | disclosed |