⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL1131007 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL1878907 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL1886393 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL15271190 | 0.97 | — | — | |
| SCHEMBL8777529 | 0.82 | — | — | |
| Bromide SCHEMBL16424549 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL1888193 | 0.81 | — | — | |
| Fluoride SCHEMBL1130927 | 0.81 | — | — | |
| Bromide SCHEMBL16424595 | 0.79 | — | — | |
| Fluoride SCHEMBL16424023 | 0.79 | — | — |
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-20030207757-A1 | Catalyst composition comprising metallocene compound having bulky cycloalkyl-substituted cyclopentadienyl ligand, and process for olefin polymerization using the same | DAELIM INDUSTRIES CO., LTD. (KR) | 2003-11-06 | — | — | US | disclosed |