⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL650558 | 0.62 | — | — | |
| SCHEMBL4197142 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL28058999 | 0.60 | — | — | |
| SCHEMBL21886558 | 0.60 | EGLN3 (0.47) | — | |
| SCHEMBL28206152 | 0.58 | — | — | |
| SCHEMBL1819552 | 0.58 | — | — | |
| SCHEMBL3277667 | 0.57 | — | — | |
| SCHEMBL9427892 | 0.57 | — | — | |
| SCHEMBL27795422 | 0.57 | — | — | |
| SCHEMBL28295816 | 0.53 | — | — |
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-107106470-A | For active composition or the polyurethane urea solutions of the composition of spices | 科思创德国股份有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-106857622-A | A kind of Herbicidal combinations and its application containing pyraclonil and cafenstrole | 南京华洲药业有限公司 | 2017-06-20 | — | — | CN | disclosed |