⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10394965 | 0.71 | — | — | |
| SCHEMBL82013 | 0.71 | — | — | |
| Propene SCHEMBL4449689 | 0.71 | TSHR (0.32) | — | |
| Ethane SCHEMBL14761780 | 0.69 | TSHR (0.42) | — | |
| SCHEMBL230705 | 0.69 | — | — | |
| SCHEMBL105479 | 0.69 | — | — | |
| Thiourea SCHEMBL8845816 | 0.69 | TSHR (0.38) | — | |
| Zinc Ion SCHEMBL23500196 | 0.65 | TSHR (0.46) | — | |
| Methane SCHEMBL15252312 | 0.65 | TSHR (0.46) | — | |
| Methane SCHEMBL3283415 | 0.65 | TSHR (0.46) | — |
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-20090124825-A1 | Method of (meth) acrylate production | SHANGHAI HUAYI ACRYLIC ACID CO., LTD | 2009-05-14 | — | — | US | disclosed |