⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28125978 | 0.85 | — | — | |
| SCHEMBL6724092 | 0.79 | — | — | |
| SCHEMBL23430392 | 0.75 | — | — | |
| SCHEMBL1654819 | 0.74 | — | — | |
| SCHEMBL25119294 | 0.72 | — | — | |
| SCHEMBL13750289 | 0.69 | — | — | |
| SCHEMBL18627189 | 0.67 | — | — | |
| SCHEMBL19594957 | 0.67 | — | — | |
| SCHEMBL21637658 | 0.67 | — | — | |
| SCHEMBL18726539 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2817359-B1 | CUCURBITURIL-BASED HYDROGELS | CAMBRIDGE ENTPR LTD (GB) | 2019-09-11 | — | — | EP | disclosed |
| EP-3083630-B1 | PROCESS METHODS FOR PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | GILEAD CALISTOGA LLC (US) | 2019-08-21 | — | — | EP | disclosed |
| EP-2276346-B1 | FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS | NAT HEALTH RESEARCH INSTITUTES (TW) | 2016-11-23 | — | — | EP | disclosed |