⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27694562 | 0.85 | OPRM1 (0.31) | — | |
| SCHEMBL6803133 | 0.79 | — | — | |
| SCHEMBL6348437 | 0.79 | CTSL (0.30) | — | |
| SCHEMBL5925142 | 0.79 | CTSL (0.30) | — | |
| SCHEMBL5141071 | 0.75 | CA1 (0.41) | — | |
| SCHEMBL6254222 | 0.73 | CA2 (0.38) | — | |
| SCHEMBL335136 | 0.73 | NOS1 (0.31) | — | |
| SCHEMBL11974296 | 0.72 | CTSK (0.32) | — | |
| SCHEMBL9362755 | 0.71 | MEN1 (0.30) | — | |
| SCHEMBL6056683 | 0.71 | KMT2A (0.41) | — |
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-0594588-A1 | CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS | Pfizer Limited (GB) | 1994-05-04 | — | — | EP | disclosed |
| WO-1991013054-A1 | CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS | PFIZER LIMITED (GB) | 1991-09-05 | — | — | WO | disclosed |