⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7512222 | 1.00 | — | — | |
| SCHEMBL7519291 | 1.00 | — | — | |
| SCHEMBL22853563 | 1.00 | — | — | |
| SCHEMBL7519722 | 1.00 | — | — | |
| SCHEMBL7520873 | 1.00 | — | — | |
| SCHEMBL8266675 | 0.80 | — | — | |
| SCHEMBL15374300 | 0.80 | — | — | |
| SCHEMBL3355488 | 0.80 | — | — | |
| SCHEMBL3202743 | 0.79 | TP53 (0.32) | — | |
| SCHEMBL7152817 | 0.79 | TP53 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3105217-B1 | ISOQUINOLINE DERIVATIVES AND USE THEREOF | PURDUE PHARMA LP (US) | 2019-05-29 | — | — | EP | disclosed |
| US-9624194-B2 | Heteroaryl compounds as sodium channel blockers | PURDUE PHARMA L.P. (US) | 2017-04-18 | — | — | US | disclosed |
| US-20170057942-A1 | ISOQUINOLINE DERIVATIVES AND USE THEREOF | PURDUE PHARMA L.P. | 2017-03-02 | — | — | US | disclosed |
| US-9181185-B2 | Heteroaryl compounds as sodium channel blockers | PURDUE PHARMA L.P. (US) | 2015-11-10 | — | — | US | disclosed |
| US-20140288092-A1 | HETEROARYL COMPOUNDS AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. (US) | 2014-09-25 | — | — | US | disclosed |
| WO-2013064883-A1 | HETEROARYL COMPOUNDS AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. (US) | 2013-05-10 | — | — | WO | disclosed |
| US-20020042055-A1 | Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions | MAXYGEN, INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2001046476-A1 | ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS | MAXYGEN, INC. (US) | 2001-06-28 | — | — | WO | disclosed |