⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL73936 | 0.69 | — | — | |
| SCHEMBL157261 | 0.68 | MPO (0.33) | — | |
| SCHEMBL16764604 | 0.59 | — | — | |
| SCHEMBL4062710 | 0.53 | — | — | |
| SCHEMBL3999555 | 0.49 | — | — | |
| SCHEMBL10033456 | 0.36 | — | — | |
| SCHEMBL148004 | 0.32 | — | — | |
| SCHEMBL482633 | 0.28 | — | — | |
| SCHEMBL18575255 | 0.27 | — | — | |
| SCHEMBL4873258 | 0.27 | — | — |
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-2005065668-A2 | TOPICAL COMPOSITIONS COMPRISING HALO-DEOXYADENOSINES FOR TREATMENT OF SKIN DISORDERS | QLT USA, INC. (US) | 2005-07-21 | — | — | WO | disclosed |