⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4486040 | 0.78 | — | — | |
| SCHEMBL8384616 | 0.69 | — | — | |
| SCHEMBL8379127 | 0.66 | CTSD (0.32) | — | |
| SCHEMBL8385058 | 0.63 | — | — | |
| SCHEMBL782177 | 0.63 | CTSD (0.33) | — | |
| SCHEMBL9542987 | 0.62 | — | — | |
| SCHEMBL8382371 | 0.62 | — | — | |
| SCHEMBL8383381 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL6914999 | 0.57 | — | — | |
| SCHEMBL1234015 | 0.57 | — | — |
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-0491842-A1 | MONOCYCLOPENTADIENYL TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS. | EXXON CHEMICAL PATENTS INC (US) | 1992-07-01 | — | — | EP | disclosed |