⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1307702 | 0.71 | — | — | |
| SCHEMBL31311 | 0.71 | MAPT (0.39) | — | |
| SCHEMBL29599774 | 0.67 | EGFR (0.41) | — | |
| SCHEMBL88615 | 0.67 | EGFR (0.41) | — | |
| SCHEMBL10411858 | 0.67 | — | — | |
| SCHEMBL286948 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL451910 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL29733087 | 0.66 | EGFR (0.39) | — | |
| Hydrochloric Acid SCHEMBL29733094 | 0.66 | EGFR (0.39) | — | |
| SCHEMBL4851533 | 0.65 | PI4KA (0.48) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2091929-A1 | AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS | The European Molecular Biology Laboratory (DE) | 2009-08-26 | — | — | EP | claimed |
| WO-2007107352-A1 | AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS | THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) | 2007-09-27 | — | — | WO | claimed |
| EP-0822187-A1 | PYRAZOLE DERIVATIVES AND HERBICIDES | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1998-02-04 | — | — | EP | claimed |
| EP-2091929-A1 | AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS | The European Molecular Biology Laboratory (DE) | 2009-08-26 | — | — | EP | disclosed |
| EP-2017264-A1 | Substituted phenyl propargyl compounds, method for their manufacture and their use as herbicides and plant growth regulators | BAYER CROPSCIENCE AG (DE) | 2009-01-21 | — | — | EP | disclosed |
| WO-2007115805-A2 | AURORA KINASE INHIBITORS | EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) | 2007-10-18 | — | — | WO | disclosed |
| WO-2007113005-A2 | 2-SUBSTITUTED 3-AMINOSULFONYL-THIOPHENE DERIVATIVES AS AURORA KINASE INHIBITORS | EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) | 2007-10-11 | — | — | WO | disclosed |
| WO-2007107352-A1 | AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS | THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007039170-A1 | ANTAGONISTS OF TOPOISOMERASE ACTIVITY AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS | EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) | 2007-04-12 | — | — | WO | disclosed |
| US-6030926-A | AS HERBICIDE | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2000-02-29 | — | — | US | disclosed |
| US-5939559-A | HERBICIDES FROM PYRAZOLE KETONES | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1999-08-17 | — | — | US | disclosed |
| EP-0822187-A1 | PYRAZOLE DERIVATIVES AND HERBICIDES | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1998-02-04 | — | — | EP | disclosed |
| US-5280009-A | Herbicide | BASF AKTIENGESELLSCHAFT (DE) | 1994-01-18 | — | — | US | disclosed |