⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8586768 | 0.69 | — | — | |
| SCHEMBL7822387 | 0.62 | — | — | |
| SCHEMBL25310378 | 0.60 | — | — | |
| SCHEMBL30463057 | 0.58 | — | — | |
| SCHEMBL1222250 | 0.50 | ALDH1A1 (0.46) | — | |
| SCHEMBL813450 | 0.50 | PARP1 (0.53) | — | |
| SCHEMBL2194475 | 0.49 | POLB (0.50) | — | |
| Urea SCHEMBL11833338 | 0.47 | — | — | |
| Urea SCHEMBL10413304 | 0.47 | — | — | |
| Urea SCHEMBL7756359 | 0.46 | LMNA (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111727054-A | Cell-conjugated immunoadjuvants for increased therapeutic efficacy | 中央研究院 | 2020-09-29 | — | — | CN | claimed |