⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7464401 | 0.88 | — | — | |
| SCHEMBL8962424 | 0.81 | — | — | |
| SCHEMBL6911502 | 0.81 | MAOB (0.30) | — | |
| SCHEMBL4765617 | 0.77 | MAOA (0.31) | — | |
| SCHEMBL2975139 | 0.75 | GABRA1 (0.33) | — | |
| SCHEMBL9171565 | 0.75 | PRKCI (0.32) | — | |
| Hydrochloric Acid SCHEMBL8587967 | 0.74 | — | — | |
| SCHEMBL7464155 | 0.71 | — | — | |
| SCHEMBL8587969 | 0.71 | — | — | |
| SCHEMBL8962390 | 0.71 | TYR (0.39) | — |
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-0846122-B1 | BRIDGED METALLOCENE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF, AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS | MONTELL TECHNOLOGY COMPANY BV (NL) | 2000-07-05 | — | — | EP | disclosed |