⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8034931 | 0.80 | — | — | |
| SCHEMBL8034932 | 0.79 | ALDH1A1 (0.37) | — | |
| Butane SCHEMBL11374487 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL23619380 | 0.75 | — | — | |
| SCHEMBL27489297 | 0.75 | — | — | |
| SCHEMBL22036458 | 0.75 | — | — | |
| SCHEMBL29285235 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL15121231 | 0.74 | — | — | |
| SCHEMBL21902646 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL1278138 | 0.70 | TSHR (0.30) | — |
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-10604542-B2 | Cyclic dinucleotides for treating conditions associated with sting activity such as cancer | INNATE TUMOR IMMUNITY, INC. (US) | 2020-03-31 | — | — | US | disclosed |