⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15672473 | 0.75 | HIF1A (0.36) | — | |
| SCHEMBL7458278 | 0.73 | CYP2C19 (0.36) | — | |
| SCHEMBL8591701 | 0.72 | ELANE (0.36) | — | |
| SCHEMBL8589771 | 0.72 | — | — | |
| SCHEMBL6141303 | 0.70 | — | — | |
| SCHEMBL14645967 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL29949127 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL29594786 | 0.64 | RXRB (0.36) | — | |
| SCHEMBL6031753 | 0.64 | RXRB (0.36) | — | |
| SCHEMBL7705027 | 0.63 | TSHR (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0846122-A1 | BRIDGED METALLOCENE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF, AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS | Montell Technology Company B.V. (NL) | 1998-06-10 | — | — | EP | disclosed |
| WO-1996038458-A1 | BRIDGED METALLOCENE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF, AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS | MONTELL TECHNOLOGY COMPANY B.V. (NL) | 1996-12-05 | — | — | WO | disclosed |