⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8100145 | 0.95 | CCNE2 (0.34) | — | |
| SCHEMBL8108530 | 0.93 | — | — | |
| SCHEMBL8108927 | 0.88 | — | — | |
| SCHEMBL8116150 | 0.86 | — | — | |
| SCHEMBL8109045 | 0.86 | PDE2A (0.32) | — | |
| SCHEMBL8346651 | 0.79 | HSP90B1 (0.32) | — | |
| SCHEMBL8114664 | 0.77 | — | — | |
| SCHEMBL8108674 | 0.76 | — | — | |
| SCHEMBL5852653 | 0.76 | TDP1 (0.32) | — | |
| SCHEMBL8115381 | 0.75 | PDE2A (0.33) | — |
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-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |