⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL336884 | 0.78 | — | — | |
| SCHEMBL1274641 | 0.77 | POLB (0.31) | — | |
| Methylethylamine SCHEMBL2829898 | 0.77 | MAPK1 (0.30) | — | |
| Dimethylamine SCHEMBL3971050 | 0.76 | TDP1 (0.32) | — | |
| SCHEMBL28716907 | 0.76 | MAPK1 (0.36) | — | |
| SCHEMBL3858507 | 0.74 | KISS1R (0.34) | — | |
| SCHEMBL528543 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL528542 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL59412 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL18927543 | 0.74 | — | — |
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-0459632-A1 | Composition and method for controlling cholesterol | ROHM AND HAAS COMPANY (US) | 1991-12-04 | — | — | EP | disclosed |