⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6490830 | 0.79 | RAB9A (0.32) | — | |
| SCHEMBL6479326 | 0.69 | CYP1A2 (0.52) | — | |
| SCHEMBL6482735 | 0.69 | CYP1A2 (0.32) | — | |
| SCHEMBL29507678 | 0.59 | TSHR (0.44) | — | |
| SCHEMBL23766 | 0.59 | — | — | |
| SCHEMBL44447 | 0.59 | TSHR (0.44) | — | |
| SCHEMBL28863118 | 0.58 | CYP1A2 (0.43) | — | |
| SCHEMBL6550153 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL6480711 | 0.57 | — | — | |
| SCHEMBL6490902 | 0.57 | ANPEP (0.32) | — |
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 |