⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15416470 | 1.00 | — | — | |
| SCHEMBL4668986 | 0.70 | — | — | |
| SCHEMBL31425456 | 0.64 | — | — | |
| SCHEMBL15416702 | 0.64 | — | — | |
| SCHEMBL2777128 | 0.64 | — | — | |
| SCHEMBL4357294 | 0.62 | — | — | |
| SCHEMBL2229862 | 0.62 | — | — | |
| SCHEMBL6279182 | 0.62 | — | — | |
| SCHEMBL3054233 | 0.59 | — | — | |
| Ethylene Glycol SCHEMBL9235434 | 0.56 | TSHR (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9707201-B2 | Allium extracts | LEPTREX LTD (GB) | 2017-07-18 | — | — | US | disclosed |
| US-20160151324-A1 | IMPROVEMENTS IN OR RELATING TO ALLIUM EXTRACTS | LEPTREX LTD (GB) | 2016-06-02 | — | — | US | disclosed |
| EP-3021860-A1 | IMPROVEMENTS IN OR RELATING TO ALLIUM EXTRACTS | Leptrex Ltd. (GB) | 2016-05-25 | — | — | EP | disclosed |
| WO-2015008019-A1 | IMPROVEMENTS IN OR RELATING TO ALLIUM EXTRACTS | LEPTREX LTD (GB) | 2015-01-22 | — | — | WO | disclosed |
| WO-2014009759-A2 | IMPROVEMENTS IN OR RELATING TO ALLIUM EXTRACTS | LEPTREX LTD (GB) | 2014-01-16 | — | — | WO | disclosed |