⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8019303 | 0.72 | — | — | |
| SCHEMBL4453294 | 0.64 | — | — | |
| SCHEMBL6545227 | 0.64 | — | — | |
| SCHEMBL8147763 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL7933038 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL7107234 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL4456512 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL8683607 | 0.63 | — | — | |
| SCHEMBL8427101 | 0.62 | — | — | |
| SCHEMBL7050542 | 0.61 | — | — |
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-5635573-A | ADDITION POLYMERIZATION USING A CYCLOPENTADIENYL METALLOCENE CATALYST SYSTEM BASED ON TRANSITION METAL COMPOUNDS FROM GROUP 4 OF THE PERIODIC TABLE | EXXON CHEMICAL PATENTS INC. (US) | 1997-06-03 | — | — | US | disclosed |