⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8717070 | 0.65 | — | — | |
| SCHEMBL251442 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL1154 | 0.65 | — | — | |
| SCHEMBL3796527 | 0.64 | — | — | |
| SCHEMBL23094116 | 0.63 | — | — | |
| SCHEMBL9305624 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL7542079 | 0.61 | TSHR (0.32) | — | |
| SCHEMBL15821191 | 0.61 | — | — | |
| SCHEMBL11864412 | 0.61 | — | — | |
| SCHEMBL18304645 | 0.61 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010028217-A1 | POLY(ETHYLENE GLYCOL) METHYL ETHER CARBODIIMIDE COUPLING REAGENTS FOR THE BIOLOGICAL AND CHEMICAL FUNCTIONALIZATION OF WATER SOLUBLE NANOPARTICLES | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2010-03-11 | — | — | WO | claimed |
| WO-2010028217-A1 | POLY(ETHYLENE GLYCOL) METHYL ETHER CARBODIIMIDE COUPLING REAGENTS FOR THE BIOLOGICAL AND CHEMICAL FUNCTIONALIZATION OF WATER SOLUBLE NANOPARTICLES | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2010-03-11 | — | — | WO | disclosed |
| WO-2010028217-A1 | POLY(ETHYLENE GLYCOL) METHYL ETHER CARBODIIMIDE COUPLING REAGENTS FOR THE BIOLOGICAL AND CHEMICAL FUNCTIONALIZATION OF WATER SOLUBLE NANOPARTICLES | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2010-03-11 | — | — | WO | disclosed |