⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16224551 | 0.78 | — | — | |
| SCHEMBL19249442 | 0.78 | — | — | |
| SCHEMBL7911659 | 0.71 | — | — | |
| SCHEMBL20692849 | 0.71 | — | — | |
| SCHEMBL20692777 | 0.71 | — | — | |
| SCHEMBL24256549 | 0.71 | — | — | |
| SCHEMBL12628868 | 0.71 | — | — | |
| SCHEMBL23938240 | 0.71 | — | — | |
| SCHEMBL4546581 | 0.67 | PIK3CD (0.31) | — | |
| SCHEMBL19943220 | 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 |
|---|---|---|---|---|---|---|---|
| US-20210230149-A1 | ARYLNAPHTHALENE COMPOUNDS AS VACUOLAR-ATPASE INHIBITORS AND THE USE THEREOF | PURDUE RESEARCH FOUNDATION (US) | 2021-07-29 | — | — | US | disclosed |
| EP-2886540-B1 | BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS | XUANZHU PHARMA CO LTD (CN) | 2017-07-26 | — | — | EP | disclosed |
| EP-2651951-B1 | TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2014-11-19 | — | — | EP | disclosed |