⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3480983 | 0.77 | — | — | |
| SCHEMBL18569868 | 0.77 | — | — | |
| SCHEMBL3480981 | 0.77 | — | — | |
| SCHEMBL12658426 | 0.77 | — | — | |
| SCHEMBL17979695 | 0.75 | — | — | |
| SCHEMBL8010225 | 0.75 | — | — | |
| SCHEMBL18455261 | 0.75 | — | — | |
| SCHEMBL19193581 | 0.73 | — | — | |
| SCHEMBL21208285 | 0.73 | — | — | |
| SCHEMBL15934970 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20110098311-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | Vertex Pharmaceuticals Incorported (US) | 2011-04-28 | — | — | US | disclosed |