⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL62154 | 0.79 | TOP1 (0.41) | — | |
| SCHEMBL10300889 | 0.75 | TOP1 (0.40) | — | |
| SCHEMBL15977497 | 0.71 | PIK3CA (0.45) | — | |
| SCHEMBL22422764 | 0.67 | TOP1 (0.44) | — | |
| SCHEMBL2801515 | 0.65 | TOP1 (0.53) | — | |
| SCHEMBL17117134 | 0.65 | — | — | |
| SCHEMBL15977645 | 0.64 | ERN1 (0.40) | — | |
| SCHEMBL17461737 | 0.64 | DHODH (0.36) | — | |
| SCHEMBL24097368 | 0.63 | HCRTR2 (0.34) | — | |
| SCHEMBL17227667 | 0.63 | PIK3CA (0.43) | — |
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-3287506-A1 | PHENANTHRENE DERIVATIVES | Merck Patent GmbH (DE) | 2018-02-28 | — | — | EP | disclosed |