⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4763877 | 0.87 | DUT (0.33) | — | |
| SCHEMBL7003724 | 0.78 | PTGS1 (0.30) | — | |
| SCHEMBL22320622 | 0.76 | IRAK4 (0.32) | — | |
| SCHEMBL31167950 | 0.75 | — | — | |
| SCHEMBL8804630 | 0.75 | — | — | |
| SCHEMBL8846519 | 0.74 | DUT (0.33) | — | |
| SCHEMBL31658833 | 0.73 | — | — | |
| SCHEMBL2146962 | 0.73 | — | — | |
| SCHEMBL29102889 | 0.73 | — | — | |
| SCHEMBL17810295 | 0.71 | SYK (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2838898-B1 | SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | ADVINUS THERAPEUTICS LTD (IN) | 2017-01-18 | — | — | EP | disclosed |
| US-9233983-B2 | Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof | ADVINUS THERAPEUTICS LIMITED (IN) | 2016-01-12 | — | — | US | disclosed |
| US-20150064196-A1 | Substituted Hetero-Bicyclic Compounds, Compositions and Medicinal Applications Thereof | IMPETIS BIOSCIENCES LIMITED (IN) | 2015-03-05 | — | — | US | disclosed |
| EP-2838898-A1 | SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | Advinus Therapeutics Limited (IN) | 2015-02-25 | — | — | EP | disclosed |
| WO-2013157022-A1 | SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | ADVINUS THERAPEUTICS LIMITED (IN) | 2013-10-24 | — | — | WO | disclosed |