⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4633247 | 0.68 | — | — | |
| SCHEMBL6362966 | 0.67 | — | — | |
| SCHEMBL14361050 | 0.67 | — | — | |
| SCHEMBL8532055 | 0.67 | THRB (0.32) | — | |
| SCHEMBL8373078 | 0.65 | — | — | |
| SCHEMBL1496435 | 0.62 | — | — | |
| SCHEMBL4024768 | 0.62 | — | — | |
| SCHEMBL732380 | 0.62 | — | — | |
| SCHEMBL16652780 | 0.62 | — | — | |
| SCHEMBL5045214 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1638525-B1 | INHALABLE FORMULATIONS FOR TREATING PULMONARY HYPERTENSION AND METHODS OF USING SAME | MERCK PATENT GMBH (DE) | 2012-03-07 | — | — | EP | disclosed |
| WO-2011038293-A1 | CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-03-31 | — | — | WO | disclosed |
| US-20020133009-A1 | Method for opening potassium channels | LAMBROU GEORGE N (FR) | 2002-09-19 | — | — | US | disclosed |