⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL4400530 | 0.74 | TDP1 (0.38) | — | |
| SCHEMBL3482652 | 0.74 | TDP1 (0.57) | — | |
| SCHEMBL5883960 | 0.74 | — | — | |
| SCHEMBL5685655 | 0.73 | TDP1 (0.36) | — | |
| SCHEMBL29154146 | 0.73 | — | — | |
| SCHEMBL4595000 | 0.73 | — | — | |
| SCHEMBL3517467 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2515793 | 0.71 | TDP1 (1.00) | — | |
| SCHEMBL12263256 | 0.71 | TDP1 (0.53) | — | |
| SCHEMBL13226874 | 0.70 | TDP1 (0.52) | — |
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-101189228-A | Bicyclic [3.1.0] heteroaryl amides as type I glycine transport inhibitors | PFIZER PROD INC (US) | 2008-05-28 | — | — | CN | claimed |
| CN-103857681-B | It is used as the new big ring of factor XI, plasma thromboplastin antecedent A inhibitor | 百时美施贵宝公司 | 2017-07-14 | — | — | CN | disclosed |
| CN-101065377-B | Imidazo[1,2-a]pyridine compounds, compositions, uses and methods related thereto | FERRER INT | 2011-07-27 | — | — | CN | disclosed |
| CN-101189228-A | Bicyclic [3.1.0] heteroaryl amides as type I glycine transport inhibitors | PFIZER PROD INC (US) | 2008-05-28 | — | — | CN | disclosed |
| CN-101103028-A | Heteroaryl substituted quinolin-4-ylamine analogues | NEUROGEN CORP (US) | 2008-01-09 | — | — | CN | disclosed |
| CN-101065377-A | Imidazo[1,2-a]pyridine compounds, compositions, uses and methods related thereto | FERRER INT (ES) | 2007-10-31 | — | — | CN | disclosed |
| CN-1325483-C | Method for producing 3,4-dichloro-n-(2-cyano-phenyl)-5-isothiazole carboxamide | BAYER CROPSCIENCE AG (DE) | 2007-07-11 | — | — | CN | disclosed |
| CN-1678595-A | Method for producing 3,4-dichloro-n-(2-cyano-phenyl)-5-isothiazole carboxamide | BAYER CROPSCIENCE AG (DE) | 2005-10-05 | — | — | CN | disclosed |
| CN-1427839-A | Charged compounds containing nucleic acid binding moieties and uses thereof | GENESOFT INC (US) | 2003-07-02 | — | — | CN | disclosed |
| CN-1122333-A | Tetrazolinone derivatives | BAYER AGROCHEM KK (JP) | 1996-05-15 | — | — | CN | disclosed |