⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5801988 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL28343113 | 0.73 | TSHR (0.52) | — | |
| SCHEMBL3095132 | 0.70 | TET2 (0.39) | — | |
| SCHEMBL21693873 | 0.68 | TSHR (0.49) | — | |
| SCHEMBL28091950 | 0.66 | ALDH1A1 (0.38) | — | |
| SCHEMBL6036744 | 0.66 | TSHR (0.53) | — | |
| SCHEMBL23466342 | 0.61 | ALDH1A1 (0.39) | — | |
| SCHEMBL6208921 | 0.61 | ALDH1A1 (0.39) | — | |
| Methacrylic Acid SCHEMBL28153904 | 0.61 | ALDH1A1 (0.45) | — | |
| Acrylic Acid SCHEMBL27682641 | 0.61 | ALOX15 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120108679-A1 | BRANCHED COPOLYMERS, COMPOSITION AND USES | UNILEVER PLC (GB) | 2012-05-03 | — | — | US | disclosed |