⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL747368 | 0.83 | TSHR (0.40) | — | |
| SCHEMBL1280006 | 0.83 | — | — | |
| SCHEMBL18789413 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL2723655 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL2130027 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL3009250 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL2014805 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL1798540 | 0.74 | TSHR (0.52) | — | |
| SCHEMBL16908443 | 0.74 | TSHR (0.43) | — | |
| Hydrogen Sulfide SCHEMBL21352279 | 0.73 | TSHR (0.50) | — |
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-20160168301-A1 | POLY(ETHYLENE-ALIPHATIC DIENE)-G-POLYSTYRENE BASED COPOLYMER HAVING IMPROVED MECHANICAL PROPERTIES AND HEAT RESISTANCE AND METHOD FOR PREPARING SAME | KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) | 2016-06-16 | — | — | US | disclosed |