⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26989948 | 0.85 | SLC6A2 (0.33) | — | |
| SCHEMBL23480265 | 0.83 | SLC6A2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL26984474 | 0.82 | SLC6A2 (0.32) | — | |
| SCHEMBL26984420 | 0.78 | — | — | |
| SCHEMBL16987755 | 0.77 | SLC6A2 (0.34) | — | |
| SCHEMBL2583995 | 0.77 | — | — | |
| SCHEMBL8521872 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL18493325 | 0.76 | SLC6A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3580219 | 0.73 | — | — | |
| SCHEMBL23883673 | 0.73 | ALOX15 (0.31) | — |
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-2021113679-A1 | DIMERIC COMPOUNDS AS STING AGONISTS | MERSANA THERAPEUTICS, INC. (US) | 2021-06-10 | — | — | WO | disclosed |