⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL818478 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7935406 | 0.81 | — | — | |
| SCHEMBL7645858 | 0.80 | LMNA (0.31) | — | |
| Hydrochloric Acid SCHEMBL818447 | 0.79 | LMNA (0.31) | — | |
| SCHEMBL17415592 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL7926689 | 0.76 | — | — | |
| SCHEMBL818477 | 0.76 | — | — | |
| SCHEMBL7935403 | 0.76 | — | — | |
| SCHEMBL7935486 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL16393662 | 0.75 | PDK2 (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 |
|---|---|---|---|---|---|---|---|
| EP-2322565-A2 | Catalyst composition for the preparation of polyethylene | Basell Polyolefine GmbH (DE) | 2011-05-18 | — | — | EP | disclosed |