⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3738602 | 0.77 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL719293 | 0.76 | TSHR (0.35) | — | |
| Iodide SCHEMBL2315413 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL28820021 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL4772046 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL5203855 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL7757394 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL4269389 | 0.69 | TSHR (0.46) | — | |
| SCHEMBL27908757 | 0.69 | — | — | |
| SCHEMBL29063501 | 0.68 | TSHR (0.40) | — |
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-20130144003-A9 | AMPHOLYTIC COPOLYMER WITH CONTROLLED ARCHITECTURE | RHODIA OPERATIONS (FR) | 2013-06-06 | — | — | US | disclosed |
| US-20100280169-A1 | AMPHOLYTIC COPOLYMER WITH CONTROLLED ARCHITECTURE | DESTARAC MATHIAS | 2010-11-04 | — | — | US | disclosed |