⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23641755 | 0.91 | CASP6 (0.31) | — | |
| SCHEMBL24861152 | 0.84 | — | — | |
| SCHEMBL23641851 | 0.84 | CASP6 (0.32) | — | |
| SCHEMBL24191244 | 0.83 | ALDH1A1 (0.40) | — | |
| SCHEMBL23641868 | 0.82 | — | — | |
| SCHEMBL23641845 | 0.81 | P2RX3 (0.44) | — | |
| SCHEMBL23641750 | 0.79 | P2RY2 (0.36) | — | |
| SCHEMBL23641810 | 0.79 | RNASEL (0.41) | — | |
| SCHEMBL20224842 | 0.71 | ALDH1A1 (0.45) | — | |
| SCHEMBL20224899 | 0.71 | ALDH1A1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3848054-A1 | NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF | Daiichi Sankyo Company, Limited (JP) | 2021-07-14 | — | — | EP | disclosed |