⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16418024 | 0.84 | — | — | |
| SCHEMBL11940481 | 0.79 | OPRM1 (0.31) | — | |
| SCHEMBL5388376 | 0.72 | — | — | |
| SCHEMBL16510890 | 0.71 | — | — | |
| SCHEMBL11940484 | 0.71 | — | — | |
| SCHEMBL7932456 | 0.71 | — | — | |
| SCHEMBL19506977 | 0.69 | — | — | |
| SCHEMBL17231287 | 0.69 | — | — | |
| SCHEMBL15144338 | 0.69 | — | — | |
| SCHEMBL18194363 | 0.69 | — | — |
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-20150105582-A1 | TREPROSTINIL PRODUCTION | UNITED THERAPEUTICS CORPORATION (US) | 2015-04-16 | — | — | US | disclosed |
| US-8940930-B2 | Treprostinil production | UNITED THERAPEUTICS CORPORATION (US) | 2015-01-27 | — | — | US | disclosed |
| US-20120197041-A1 | TREPROSTINIL PRODUCTION | UNITED THERAPEUTICS CORPORATION | 2012-08-02 | — | — | US | disclosed |
| US-20120190888-A1 | TREPROSTINIL PRODUCTION | UNITED THERAPEUTICS CORPORATION | 2012-07-26 | — | — | US | disclosed |