⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12653115 | 1.00 | — | — | |
| SCHEMBL22899601 | 0.75 | — | — | |
| SCHEMBL17193557 | 0.73 | — | — | |
| SCHEMBL14261149 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL13512919 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL3363269 | 0.72 | — | — | |
| SCHEMBL10940969 | 0.71 | — | — | |
| SCHEMBL6360894 | 0.69 | — | — | |
| SCHEMBL11854352 | 0.69 | — | — | |
| SCHEMBL14625153 | 0.69 | — | — |
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-20170174878-A1 | HIGHLY FILLED POLYMER SYSTEMS | CJ CHEILJEDANG CORPORATION (KR) | 2017-06-22 | — | — | US | disclosed |