⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8000444 | 1.00 | TSHR (0.71) | — | |
| SCHEMBL10092348 | 1.00 | TSHR (0.71) | — | |
| SCHEMBL13994161 | 1.00 | TSHR (0.71) | — | |
| SCHEMBL14141216 | 1.00 | TSHR (0.71) | — | |
| SCHEMBL12629972 | 0.97 | — | — | |
| SCHEMBL12703522 | 0.88 | — | — | |
| SCHEMBL25186232 | 0.84 | TSHR (1.00) | — | |
| SCHEMBL1674812 | 0.84 | TSHR (1.00) | — | |
| SCHEMBL21065467 | 0.84 | TSHR (1.00) | — | |
| Sebacic Acid SCHEMBL20500595 | 0.84 | TSHR (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012027618-A2 | FUNCTIONALIZED CYANINE DYES | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2012-03-01 | — | — | WO | disclosed |
| EP-1383732-B1 | LABELLING REAGENTS, METHOD FOR SYNTHESIS OF SAID REAGENTS AND METHODS FOR DETECTING BIOLOGICAL MOLECULES | BIO MERIEUX (FR) | 2010-02-17 | — | — | EP | disclosed |
| EP-2087910-A2 | Polymeric prodrugs | Complex Biosystems GmbH (DE) | 2009-08-12 | — | — | EP | disclosed |