⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14940573 | 0.59 | ALDH1A1 (0.30) | — | |
| SCHEMBL2406 | 0.59 | ALDH1A1 (0.30) | — | |
| SCHEMBL41780 | 0.59 | — | — | |
| SCHEMBL28558299 | 0.56 | — | — | |
| Ethyne SCHEMBL27965020 | 0.56 | — | — | |
| SCHEMBL23741 | 0.56 | — | — | |
| SCHEMBL5473985 | 0.56 | — | — | |
| Iodide SCHEMBL20500202 | 0.56 | — | — | |
| Bromide SCHEMBL20500171 | 0.56 | — | — | |
| SCHEMBL28683491 | 0.56 | — | — |
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-109485605-A | A kind of preparation method of 10H- spiral shell [acridine -9,9`- fluorenes] and its derivative | 石河子大学 | 2019-03-19 | — | — | CN | disclosed |