⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2668499 | 0.92 | ALDH1A1 (0.41) | — | |
| SCHEMBL12846703 | 0.91 | KDM4E (0.49) | — | |
| SCHEMBL10133641 | 0.91 | KDM4E (0.53) | — | |
| SCHEMBL24498616 | 0.90 | KDM4E (0.38) | — | |
| SCHEMBL16281580 | 0.89 | KDM4E (0.51) | — | |
| SCHEMBL24059449 | 0.86 | GNAI3 (0.53) | — | |
| SCHEMBL22479349 | 0.84 | MEN1 (0.38) | — | |
| SCHEMBL15014590 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL6122963 | 0.84 | KDM4E (0.40) | — | |
| SCHEMBL6122958 | 0.84 | KDM4E (0.40) | — |
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-20120115819-A1 | Pentacycline Compounds | TETRAPHASE PHARMACEUTICALS, INC. | 2012-05-10 | — | — | US | disclosed |