⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11952994 | 0.80 | — | — | |
| SCHEMBL11940479 | 0.71 | — | — | |
| SCHEMBL16418024 | 0.69 | — | — | |
| SCHEMBL11940481 | 0.65 | OPRM1 (0.31) | — | |
| SCHEMBL16361679 | 0.61 | — | — | |
| SCHEMBL16510890 | 0.61 | — | — | |
| SCHEMBL376856 | 0.59 | — | — | |
| SCHEMBL21508603 | 0.56 | — | — | |
| SCHEMBL240911 | 0.54 | USP2 (0.31) | — | |
| SCHEMBL1453042 | 0.54 | — | — |
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-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-20120190888-A1 | TREPROSTINIL PRODUCTION | UNITED THERAPEUTICS CORPORATION | 2012-07-26 | — | — | US | disclosed |