⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL28977539 | 0.82 | — | — | |
| Ethylene Glycol SCHEMBL9060725 | 0.78 | — | — | |
| SCHEMBL13531212 | 0.78 | — | — | |
| SCHEMBL15262905 | 0.72 | — | — | |
| SCHEMBL22322581 | 0.72 | — | — | |
| SCHEMBL14236950 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL14635457 | 0.72 | — | — | |
| SCHEMBL21275046 | 0.72 | — | — | |
| SCHEMBL22262084 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL9019015 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107987542-A | Bridge thermosetting epoxy asphalt material and preparation method thereof | 山东星火科学技术研究院 | 2018-05-04 | — | — | CN | disclosed |
| CN-1087670-A | Detergent composition having low skin irritability | LION CORP (JP) | 1994-06-08 | — | — | CN | disclosed |