⚠ 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL28239622 | 0.83 | — | — | |
| SCHEMBL28851704 | 0.81 | — | — | |
| SCHEMBL28868085 | 0.80 | HSD17B1 (0.32) | — | |
| SCHEMBL28959479 | 0.80 | ESR2 (0.32) | — | |
| SCHEMBL28868074 | 0.80 | — | — | |
| SCHEMBL28959483 | 0.80 | ESR1 (0.32) | — | |
| SCHEMBL16440032 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL3190944 | 0.80 | — | — | |
| SCHEMBL613742 | 0.80 | — | — | |
| SCHEMBL3454044 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6960644-B2 | Water-soluble block copolymer and production method therefor | KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) | 2005-11-01 | — | — | US | disclosed |
| EP-1400555-A1 | Water-soluble block copolymer and production method therefor | KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) | 2004-03-24 | — | — | EP | disclosed |
| US-20040054127-A1 | Water-soluble block copolymer and production method therefor | KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) | 2004-03-18 | — | — | US | disclosed |