⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3191329 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL20969069 | 0.71 | KDM1A (0.31) | — | |
| SCHEMBL11000652 | 0.69 | — | — | |
| SCHEMBL20969180 | 0.65 | — | — | |
| SCHEMBL20969183 | 0.65 | — | — | |
| SCHEMBL14781797 | 0.62 | — | — | |
| SCHEMBL19552476 | 0.62 | — | — | |
| SCHEMBL20969169 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL8466246 | 0.61 | ADCY2 (0.30) | — | |
| SCHEMBL14117337 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190127306-A1 | POLYCYCLIC CARBOGENIC MOLECULES AND USES THEREOF AS ANTI-CANCER AGENTS | NORTHWESTERN UNIVERSITY (US) | 2019-05-02 | — | — | US | disclosed |