⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28808841 | 0.59 | — | — | |
| SCHEMBL11549467 | 0.58 | — | — | |
| SCHEMBL8369862 | 0.56 | — | — | |
| SCHEMBL29720734 | 0.55 | — | — | |
| SCHEMBL9998880 | 0.54 | — | — | |
| SCHEMBL1959827 | 0.52 | — | — | |
| SCHEMBL5710840 | 0.52 | CTSD (0.30) | — | |
| SCHEMBL8592618 | 0.51 | — | — | |
| SCHEMBL11032465 | 0.51 | MAPT (0.32) | — | |
| SCHEMBL13995786 | 0.51 | PTPN1 (0.33) | — |
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-108546592-B | Mixed spice of dark plum and raspberry, preparation method of mixed spice and application of mixed spice in cigarettes | 河南中烟工业有限责任公司 | 2022-02-25 | — | — | CN | disclosed |