⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6858930 | 0.77 | — | — | |
| SCHEMBL7604223 | 0.69 | — | — | |
| SCHEMBL8147763 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7743387 | 0.67 | — | — | |
| Bromide SCHEMBL7527130 | 0.67 | — | — | |
| SCHEMBL4611140 | 0.67 | — | — | |
| SCHEMBL7050542 | 0.65 | — | — | |
| SCHEMBL9568419 | 0.65 | — | — | |
| SCHEMBL16543913 | 0.65 | — | — | |
| Chloromethane SCHEMBL8156713 | 0.65 | — | — |
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-6384148-B1 | POLYMER OXIDATE, WHEREIN STARTING POLYMER, WHICH IS POLYETHYLENE OBTAINED USING METALLOCENE CATALYSTS AND HAVING HIGH WEIGHT-AVERAGE MOLAR MASS, IS OXIDIZED BY REACTION WITH OXYGEN OR OXYGEN-CONTAINING GAS MIXTURES | CLARIANT GMBH (DE) | 2002-05-07 | — | — | US | disclosed |