⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11007131 | 0.71 | — | — | |
| SCHEMBL7259185 | 0.63 | — | — | |
| SCHEMBL4455585 | 0.59 | PDPK1 (0.31) | — | |
| SCHEMBL8670138 | 0.59 | KDM4E (0.32) | — | |
| SCHEMBL3726213 | 0.59 | CHEK1 (0.49) | — | |
| SCHEMBL6153814 | 0.58 | — | — | |
| SCHEMBL3230029 | 0.57 | CYP3A4 (0.57) | — | |
| SCHEMBL29291781 | 0.56 | ALDH1A1 (0.31) | — | |
| SCHEMBL788917 | 0.56 | PKN1 (0.33) | — | |
| SCHEMBL14091342 | 0.56 | PDPK1 (0.36) | — |
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-2011094580-A2 | CHELATED COPPER FOR USE IN THE PREPARATION OF CONJUGATED OLIGONUCLEOTIDES | ALNYLAM PHARMACEUTICALS, INC. (US) | 2011-08-04 | — | — | WO | disclosed |