⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9752477 | 0.80 | — | — | |
| SCHEMBL9752473 | 0.77 | CYP3A4 (0.32) | — | |
| SCHEMBL9752481 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL7065892 | 0.64 | — | — | |
| SCHEMBL8759712 | 0.61 | CYP3A4 (0.32) | — | |
| SCHEMBL9752690 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL9752434 | 0.59 | TSHR (0.32) | — | |
| SCHEMBL1778003 | 0.59 | CYP3A4 (0.30) | — | |
| SCHEMBL5881310 | 0.59 | — | — | |
| SCHEMBL24251230 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991000300-A1 | (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES | AKZO N.V. (NL) | 1991-01-10 | — | — | WO | disclosed |