⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11128512 | 0.77 | TDP1 (0.37) | — | |
| SCHEMBL1709289 | 0.77 | — | — | |
| SCHEMBL268198 | 0.77 | — | — | |
| SCHEMBL1709336 | 0.77 | — | — | |
| SCHEMBL9226467 | 0.76 | — | — | |
| SCHEMBL27857835 | 0.74 | — | — | |
| SCHEMBL637645 | 0.74 | — | — | |
| SCHEMBL11639515 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL268557 | 0.72 | — | — | |
| SCHEMBL15259526 | 0.72 | TSHR (0.38) | — |
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-102171215-B | 7H-imidazo[1, 2-a]pyrano[2, 3-c]pyridine derivations and the use thereof | SHENYANG J & HEALTH PHARAMACEU | 2014-06-18 | — | — | CN | disclosed |
| EP-2509954-A1 | 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011072241-A9 | 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | WO | disclosed |
| CN-102171215-A | 7H-imidazo[1, 2-a]pyrano[2, 3-c]pyridine derivations and the use thereof | SHENYANG J & HEALTH PHARAMACEU | 2011-08-31 | — | — | CN | disclosed |
| WO-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |
| EP-1974212-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | Vertex Pharmaceuticals Incorporated (US) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007075946-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |
| EP-1773816-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002421-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |
| CN-1040537-C | Substituted 1,2, 4-triazolo [1,5-a] pyrimidines, processes for their preparation and pharmaceutical compositions containing them | KNOLL AG (DE) | 1998-11-04 | — | — | CN | disclosed |