⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL884123 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL792099 | 0.68 | — | — | |
| SCHEMBL9810397 | 0.62 | — | — | |
| SCHEMBL254677 | 0.60 | TDP1 (0.50) | — | |
| SCHEMBL5985190 | 0.59 | PDK2 (0.34) | — | |
| SCHEMBL4301101 | 0.59 | LMNA (0.41) | — | |
| SCHEMBL5081325 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL21479470 | 0.57 | LMNA (0.36) | — | |
| SCHEMBL18205262 | 0.57 | — | — | |
| SCHEMBL22675438 | 0.56 | LMNA (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120184583-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | claimed |
| US-20100144798-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-10 | — | — | US | claimed |
| EP-1601657-A1 | PYRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2005-12-07 | — | — | EP | claimed |
| US-20050113423-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2005-05-26 | — | — | US | claimed |
| WO-2004080972-A1 | PIRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-09-23 | — | — | WO | claimed |
| US-20120184583-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | disclosed |
| US-20100144798-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-10 | — | — | US | disclosed |
| EP-1601657-A1 | PYRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2005-12-07 | — | — | EP | disclosed |
| US-20050113423-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2005-05-26 | — | — | US | disclosed |
| WO-2004080972-A1 | PIRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-09-23 | — | — | WO | disclosed |