⚠ 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 SCHEMBL1888193 | 0.98 | — | — | |
| Fluoride SCHEMBL1130927 | 0.98 | — | — | |
| Bromide SCHEMBL16424549 | 0.98 | — | — | |
| Fluoride SCHEMBL16424023 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL1886614 | 0.96 | — | — | |
| Bromide SCHEMBL16424595 | 0.96 | — | — | |
| SCHEMBL7073908 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1878907 | 0.81 | — | — | |
| Fluoride SCHEMBL1131007 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL15271190 | 0.80 | — | — |
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-0798315-B1 | Process for preparing highly active, stable metallocene catalyst systems, and catalyst compositions prepared according therewith | WITCO GMBH (DE) | 1997-10-29 | — | — | EP | claimed |