⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2880912 | 0.77 | — | — | |
| Butane SCHEMBL7113243 | 0.76 | — | — | |
| SCHEMBL20448491 | 0.74 | SKP2 (0.31) | — | |
| SCHEMBL7061170 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6679194 | 0.68 | — | — | |
| Iodide SCHEMBL7059335 | 0.67 | — | — | |
| Bromide SCHEMBL7061833 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7058576 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6758052 | 0.67 | — | — | |
| SCHEMBL6375263 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1042376-B1 | ETHYLENE POLYMERIZATION PROCESS IN A LIQUID REACTION MEDIUM | EXXONMOBIL CHEM PATENTS INC (US) | 2003-05-21 | — | — | EP | disclosed |