⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14036835 | 0.91 | LMNA (0.33) | — | |
| Hydrochloric Acid SCHEMBL5017296 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL899769 | 0.81 | — | — | |
| SCHEMBL430986 | 0.81 | — | — | |
| Undecanol SCHEMBL6824755 | 0.81 | LMNA (0.54) | — | |
| Propanol SCHEMBL3963638 | 0.80 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL9111058 | 0.75 | ENPEP (0.38) | — | |
| SCHEMBL9073530 | 0.75 | — | — | |
| SCHEMBL3795989 | 0.75 | GSR (0.43) | — | |
| Alcohol SCHEMBL8633305 | 0.75 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040266747-A1 | Long chain fatty alcohol substituents in antineoplastic agents | PFAENDLER HANS R (DE) | 2004-12-30 | — | — | US | disclosed |