⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6266447 | 1.00 | — | — | |
| SCHEMBL13618608 | 0.78 | — | — | |
| SCHEMBL166691 | 0.78 | — | — | |
| SCHEMBL166692 | 0.78 | — | — | |
| SCHEMBL7093765 | 0.75 | — | — | |
| SCHEMBL7089144 | 0.71 | — | — | |
| SCHEMBL14459424 | 0.69 | — | — | |
| SCHEMBL19441880 | 0.67 | — | — | |
| SCHEMBL10887431 | 0.67 | — | — | |
| SCHEMBL14753501 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7897607-B2 | Cyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-03-01 | — | — | US | disclosed |
| US-20070179165-A1 | Cyclic compounds | GYORKOS ALBERT C | 2007-08-02 | — | — | US | disclosed |
| EP-1562603-A2 | NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004045618-A2 | NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-06-03 | — | — | WO | disclosed |