⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20128808 | 0.80 | ATM (0.33) | — | |
| SCHEMBL21025703 | 0.78 | — | — | |
| SCHEMBL21906795 | 0.77 | — | — | |
| SCHEMBL20372495 | 0.74 | — | — | |
| SCHEMBL20233535 | 0.73 | — | — | |
| SCHEMBL22006694 | 0.72 | — | — | |
| SCHEMBL23651502 | 0.71 | — | — | |
| SCHEMBL24856336 | 0.69 | HRH3 (0.32) | — | |
| SCHEMBL22006219 | 0.67 | — | — | |
| SCHEMBL20233880 | 0.66 | — | — |
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-11028088-B2 | Modulators of BTK proteolysis and methods of use | YALE UNIVERSITY (US) | 2021-06-08 | — | — | US | disclosed |
| US-20210139458-A1 | TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS | ARVINAS OPERATIONS, INC. | 2021-05-13 | — | — | US | disclosed |
| US-20190276459-A1 | MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE | YALE UNIVERSITY | 2019-09-12 | — | — | US | disclosed |