⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6461769 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3627267 | 0.74 | — | — | |
| SCHEMBL8164328 | 0.67 | — | — | |
| SCHEMBL6522733 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL6935188 | 0.66 | — | — | |
| SCHEMBL6912929 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL7078613 | 0.58 | — | — | |
| SCHEMBL6553665 | 0.58 | — | — | |
| SCHEMBL16393737 | 0.57 | — | — | |
| SCHEMBL16393566 | 0.57 | — | — |
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-1049704-B1 | BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS | BASELL POLYOLEFINE GMBH (DE) | 2005-07-27 | — | — | EP | disclosed |