⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13926465 | 0.87 | — | — | |
| SCHEMBL276134 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL14612167 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL13171280 | 0.81 | GABBR2 (0.36) | — | |
| SCHEMBL28206422 | 0.80 | — | — | |
| SCHEMBL12574999 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL4917007 | 0.79 | — | — | |
| SCHEMBL14188382 | 0.79 | — | — | |
| SCHEMBL28063679 | 0.77 | ALDH1A1 (0.33) | — | |
| Butane SCHEMBL28139255 | 0.77 | TSHR (0.40) | — |
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-2023069529-A1 | COMPOSITIONS COMPRISING 2'-DEOXYCYTIDINE ANALOGS AND USE THEREOF FOR THE TREATMENT OF SICKLE CELL DISEASE, THALASSEMIA, AND CANCERS | AKIRABIO, INC. (US) | 2023-04-27 | — | — | WO | disclosed |