⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL177556 | 0.72 | — | — | |
| SCHEMBL216689 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL728989 | 0.71 | CPN1 (0.31) | — | |
| SCHEMBL18082029 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL6664940 | 0.70 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7635615 | 0.69 | — | — | |
| SCHEMBL6862722 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1953396 | 0.67 | — | — | |
| SCHEMBL8972701 | 0.65 | — | — | |
| SCHEMBL18869513 | 0.65 | SHBG (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 |
|---|---|---|---|---|---|---|---|
| WO-2009063084-A2 | PROCESS FOR THE PREPARATION OF ULTRA HIGH MOLECULAR WEIGHT POLYETHYLENE | DSM IP ASSETS BV (NL) | 2009-05-22 | — | — | WO | disclosed |