⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23945753 | 0.95 | TSHR (0.44) | — | |
| SCHEMBL20658174 | 0.87 | TSHR (0.48) | — | |
| SCHEMBL3034850 | 0.84 | — | — | |
| SCHEMBL26280819 | 0.80 | HSD17B10 (0.31) | — | |
| SCHEMBL13007103 | 0.78 | CYP3A4 (0.32) | — | |
| SCHEMBL2360070 | 0.78 | — | — | |
| SCHEMBL20658144 | 0.77 | THRB (0.50) | — | |
| SCHEMBL22856130 | 0.76 | CYP2C19 (0.41) | — | |
| SCHEMBL8728506 | 0.76 | TSHR (0.48) | — | |
| SCHEMBL2095807 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0647096-B1 | AGRICULTURAL FORMULATIONS CONTAINING LIQUID ESTERS OF FLUROXYPYR | DOWELANCO (US) | 1998-08-05 | — | — | EP | claimed |
| US-20230227657-A1 | FLUORESCENT MACROMOLECULE AND USES THEREOF | QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) | 2023-07-20 | — | — | US | disclosed |
| US-8835625-B2 | Propargyl substituted nucleoside compounds and methods | APPLIED BIOSYSTEMS, LLC (US) | 2014-09-16 | — | — | US | disclosed |
| US-20120309953-A1 | Propargyl Substituted Nucleoside Compounds and Methods | Life Technologies Corporation (US) | 2012-12-06 | — | — | US | disclosed |