⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1539664 | 0.89 | — | — | |
| Iodide SCHEMBL1539660 | 0.89 | — | — | |
| Fluoride Ion SCHEMBL1539698 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1539749 | 0.89 | — | — | |
| SCHEMBL8575609 | 0.82 | — | — | |
| SCHEMBL8577173 | 0.70 | TAAR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL4632231 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4632245 | 0.67 | — | — | |
| Iodide SCHEMBL4633020 | 0.67 | — | — | |
| SCHEMBL4633289 | 0.66 | — | — |
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-5739225-A | CATALYTIC HOMO- OR COPOLYMERIZATION IN PRESENCE OF A MIXTURE COMPRISING A TRANSITION METAL COMPOUND AND AN ALUMOXANE | IDEMITSU KOSAN CO., LTD. (JP) | 1998-04-14 | — | — | US | disclosed |