⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6481863 | 0.93 | — | — | |
| SCHEMBL6494506 | 0.82 | — | — | |
| SCHEMBL6491869 | 0.81 | — | — | |
| SCHEMBL6489779 | 0.81 | — | — | |
| SCHEMBL6491871 | 0.77 | — | — | |
| SCHEMBL6481865 | 0.74 | — | — | |
| SCHEMBL6479645 | 0.73 | — | — | |
| SCHEMBL6480324 | 0.72 | FABP7 (0.35) | — | |
| SCHEMBL6492510 | 0.70 | NSD2 (0.30) | — | |
| SCHEMBL6479646 | 0.67 | ALDH1A1 (0.30) | — |
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-20050288238-A1 | Benzocyclodecane derivatives with antitumor activity | PFIZER INC | 2005-12-29 | — | — | US | disclosed |