⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL260668 | 0.97 | — | — | |
| SCHEMBL2697704 | 0.70 | — | — | |
| SCHEMBL29366238 | 0.70 | — | — | |
| SCHEMBL29581302 | 0.70 | — | — | |
| SCHEMBL103661 | 0.70 | — | — | |
| SCHEMBL29769309 | 0.70 | KDM4E (0.55) | — | |
| SCHEMBL687180 | 0.70 | KDM4E (0.55) | — | |
| Calcium SCHEMBL38655972 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL5387644 | 0.69 | — | — | |
| SCHEMBL764220 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007059329-A2 | METHODS AND COMPOSITIONS FOR TREATING CANCER | PHARMACYCLICS, INC. (US) | 2007-05-24 | — | — | WO | disclosed |