⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18482356 | 1.00 | — | — | |
| SCHEMBL18594874 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL5034478 | 0.75 | — | — | |
| SCHEMBL18632951 | 0.73 | — | — | |
| SCHEMBL26563686 | 0.71 | — | — | |
| SCHEMBL26061658 | 0.71 | — | — | |
| SCHEMBL19313945 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL16168273 | 0.69 | — | — | |
| SCHEMBL18595321 | 0.69 | — | — | |
| SCHEMBL25685643 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230183209-A1 | CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME | ARVINAS OPERATIONS, INC. (US) | 2023-06-15 | — | — | US | disclosed |
| EP-4011882-A1 | 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES | Purdue Research Foundation (US) | 2022-06-15 | — | — | EP | disclosed |
| US-20210198208-A1 | 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES | PURDUE RESEARCH FOUNDATION (US) | 2021-07-01 | — | — | US | disclosed |
| US-20180215731-A1 | CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME | ARVINAS OPERATIONS, INC. | 2018-08-02 | — | — | US | disclosed |
| WO-2018035072-A1 | 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES | PURDUE RESEARCH FOUNDATION (US) | 2018-02-22 | — | — | WO | disclosed |
| US-20170174620-A1 | LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME | UNIVERSITY OF MARYLAND, COLLEGE PARK | 2017-06-22 | — | — | US | disclosed |