⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL587918 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL28299653 | 0.74 | TSHR (0.53) | — | |
| SCHEMBL625956 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL8157145 | 0.62 | — | — | |
| SCHEMBL11673746 | 0.60 | TSHR (0.47) | — | |
| SCHEMBL217037 | 0.60 | — | — | |
| SCHEMBL8610913 | 0.60 | TSHR (0.47) | — | |
| SCHEMBL1274389 | 0.60 | — | — | |
| SCHEMBL5152993 | 0.59 | TSHR (0.40) | — | |
| SCHEMBL28142354 | 0.58 | TSHR (0.44) | — |
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-20130032376-A1 | SEMICONDUCTIVE POLYMER COMPOSITION COMPRISING POLAR COPOLYMER | BOREALIS AG (AT) | 2013-02-07 | — | — | US | disclosed |