⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17119556 | 0.93 | LMNA (0.31) | — | |
| SCHEMBL17119542 | 0.90 | — | — | |
| SCHEMBL20910580 | 0.79 | — | — | |
| SCHEMBL10052273 | 0.78 | — | — | |
| SCHEMBL20910387 | 0.75 | NPC1 (0.31) | — | |
| SCHEMBL17120369 | 0.74 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL7946945 | 0.71 | — | — | |
| SCHEMBL3939112 | 0.70 | — | — | |
| SCHEMBL4023367 | 0.70 | — | — | |
| SCHEMBL12240756 | 0.70 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9732080-B2 | Azaindole derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-08-15 | — | — | US | disclosed |
| US-20150336956-A1 | AZAINDOLE DERIVATIVES AS CFTR MODULATORS | VERTEX PHARAMCEUTICALS INCORPORATED | 2015-11-26 | — | — | US | disclosed |
| US-20150119441-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2015-04-30 | — | — | US | disclosed |
| US-8952050-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-10 | — | — | US | disclosed |
| US-20140080826-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-20 | — | — | US | disclosed |
| EP-2394995-B1 | RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2014-01-15 | — | — | EP | disclosed |
| US-8575209-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-05 | — | — | US | disclosed |
| US-20120157461-A1 | Indolyl-Substituted Pyrazino-Quinolines and Their Use for the Treatment of Cancer | ONKILL AB (SE) | 2012-06-21 | — | — | US | disclosed |