⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL380464 | 0.87 | — | — | |
| SCHEMBL147241 | 0.84 | — | — | |
| SCHEMBL14000783 | 0.84 | — | — | |
| SCHEMBL5791362 | 0.84 | — | — | |
| Ethane SCHEMBL7007928 | 0.81 | MAPK1 (0.44) | — | |
| Phosphine SCHEMBL21561433 | 0.81 | MAPK1 (0.44) | — | |
| Propane SCHEMBL20677049 | 0.81 | MAPK1 (0.44) | — | |
| Potassium SCHEMBL9541959 | 0.81 | MAPK1 (0.44) | — | |
| Methane SCHEMBL7004649 | 0.81 | MAPK1 (0.44) | — | |
| SCHEMBL9543323 | 0.81 | MAPK1 (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-9156924-B2 | Polymerization initiating system and method to produce highly reactive olefin functional polymers | UNIVERSITY OF MASSACHUSETTS (US) | 2015-10-13 | — | — | US | disclosed |