⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9967698 | 0.83 | LMNA (0.30) | — | |
| SCHEMBL22014777 | 0.79 | — | — | |
| SCHEMBL15821990 | 0.71 | LMNA (0.40) | — | |
| SCHEMBL15821989 | 0.71 | LMNA (0.40) | — | |
| SCHEMBL20429954 | 0.68 | — | — | |
| SCHEMBL5074508 | 0.67 | UGT2B7 (0.33) | — | |
| SCHEMBL22722108 | 0.67 | — | — | |
| SCHEMBL27944923 | 0.67 | — | — | |
| SCHEMBL712301 | 0.67 | EPHX1 (0.32) | — | |
| SCHEMBL26054416 | 0.66 | ALOX5 (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-2935191-B1 | PREPARATION OF (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL | DSM IP ASSETS BV (NL) | 2018-08-01 | — | — | EP | disclosed |