⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31465221 | 0.80 | — | — | |
| SCHEMBL6935812 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL11897577 | 0.71 | — | — | |
| SCHEMBL3155618 | 0.71 | — | — | |
| SCHEMBL3943614 | 0.69 | — | — | |
| SCHEMBL9244308 | 0.69 | — | — | |
| SCHEMBL4633241 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL13721803 | 0.68 | — | — | |
| SCHEMBL1579024 | 0.67 | — | — | |
| SCHEMBL21069189 | 0.67 | — | — |
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-20020165232-A1 | Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity | SIKORSKI JAMES A (US) | 2002-11-07 | — | — | US | claimed |