⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7328700 | 0.60 | — | — | |
| SCHEMBL6036903 | 0.58 | — | — | |
| SCHEMBL9468749 | 0.56 | — | — | |
| Isobutane SCHEMBL604446 | 0.52 | TSHR (0.73) | — | |
| SCHEMBL16201624 | 0.52 | CDC25A (0.32) | — | |
| Cyclopentanone SCHEMBL22163807 | 0.50 | TRIM24 (0.62) | — | |
| SCHEMBL119955 | 0.47 | — | — | |
| SCHEMBL7981543 | 0.47 | — | — | |
| SCHEMBL3413343 | 0.45 | CDC25A (0.37) | — | |
| SCHEMBL1181554 | 0.45 | — | — |
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-20120122949-A1 | ULTRA-HIGH STRENGTH INJECTABLE HYDROGEL AND PROCESS FOR PRODUCING THE SAME | THE UNIVERSITY OF TOKYO (JP) | 2012-05-17 | — | — | US | disclosed |