⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4821004 | 1.00 | — | — | |
| SCHEMBL3250426 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL3541800 | 0.78 | — | — | |
| SCHEMBL17542377 | 0.77 | — | — | |
| SCHEMBL20629684 | 0.77 | — | — | |
| SCHEMBL18468911 | 0.77 | — | — | |
| SCHEMBL17542381 | 0.77 | — | — | |
| SCHEMBL17542178 | 0.77 | — | — | |
| SCHEMBL17550290 | 0.77 | — | — | |
| SCHEMBL19413595 | 0.77 | GRIK1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3424931-B1 | TETRAHYDRONAPHTHALENE DERIVATIVES THAT INHIBIT MCL-1 PROTEIN | AMGEN INC (US) | 2020-02-12 | — | — | EP | disclosed |