⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20725914 | 1.00 | — | — | |
| SCHEMBL22107433 | 0.75 | — | — | |
| SCHEMBL7887917 | 0.73 | — | — | |
| SCHEMBL14436568 | 0.72 | — | — | |
| SCHEMBL16501322 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL14417623 | 0.72 | — | — | |
| SCHEMBL14709887 | 0.72 | — | — | |
| SCHEMBL4367545 | 0.72 | — | — | |
| SCHEMBL15031916 | 0.72 | — | — | |
| SCHEMBL8550412 | 0.72 | — | — |
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-9815864-B2 | Substituted nucleosides, nucleotides and analogs thereof | ALIOS BIOPHARMA, INC. (US) | 2017-11-14 | — | — | US | disclosed |