⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9577511 | 1.00 | — | — | |
| SCHEMBL9064078 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6911276 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL7639743 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL4481365 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL4478116 | 0.68 | — | — | |
| SCHEMBL4451763 | 0.67 | — | — | |
| SCHEMBL9577513 | 0.62 | — | — | |
| SCHEMBL9319115 | 0.55 | TP53 (0.30) | — | |
| SCHEMBL6263005 | 0.53 | — | — |
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-5225501-A | Transition metal compound and alumoxane catalyst | MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) | 1993-07-06 | — | — | US | disclosed |