⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7199 | 0.75 | — | — | |
| SCHEMBL17124658 | 0.74 | — | — | |
| SCHEMBL2158653 | 0.73 | — | — | |
| SCHEMBL344677 | 0.71 | — | — | |
| SCHEMBL2838785 | 0.69 | — | — | |
| Ethoxycarbonyl Group SCHEMBL18076005 | 0.69 | — | — | |
| SCHEMBL17512193 | 0.69 | — | — | |
| SCHEMBL4398820 | 0.69 | — | — | |
| Ethoxycarbonyl Group SCHEMBL453 | 0.67 | — | — | |
| Ethoxycarbonyl Group SCHEMBL5306888 | 0.67 | ALDH1A1 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9758465-B2 | Controlled release pharmaceutical formulations | UNITED THERAPEUTICS CORPORATION (US) | 2017-09-12 | — | — | US | disclosed |
| US-20140323567-A1 | CONTROLLED RELEASE PHARMACEUTICAL FORMULATIONS | UNITED THERAPEUTICS CORPORATION (US) | 2014-10-30 | — | — | US | disclosed |