⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21798621 | 0.77 | — | — | |
| SCHEMBL31319921 | 0.76 | — | — | |
| SCHEMBL283774 | 0.74 | — | — | |
| SCHEMBL31345612 | 0.73 | — | — | |
| SCHEMBL6485450 | 0.73 | — | — | |
| SCHEMBL5352281 | 0.70 | — | — | |
| SCHEMBL5849521 | 0.67 | — | — | |
| SCHEMBL8730174 | 0.65 | — | — | |
| SCHEMBL5281674 | 0.65 | — | — | |
| SCHEMBL31211722 | 0.65 | — | — |
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-1115693-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | Monsanto Company (US) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000018721-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | disclosed |