⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2351501 | 0.78 | — | — | |
| Propene SCHEMBL7945752 | 0.75 | — | — | |
| Propene SCHEMBL8155698 | 0.64 | — | — | |
| Propene SCHEMBL8039600 | 0.63 | TSHR (0.33) | — | |
| Propene SCHEMBL8064619 | 0.63 | — | — | |
| Propene SCHEMBL8190454 | 0.63 | TSHR (0.33) | — | |
| Propene SCHEMBL4948068 | 0.63 | TSHR (0.33) | — | |
| Propene SCHEMBL342422 | 0.63 | — | — | |
| Propene SCHEMBL8431129 | 0.63 | TSHR (0.33) | — | |
| Propene SCHEMBL193 | 0.63 | — | — |
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-20060293466-A1 | Methods for synthesis of graft polymers | THE UNIVERSITY OF WATERLOO (CA) | 2006-12-28 | — | — | US | disclosed |