⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6375988 | 0.83 | — | — | |
| SCHEMBL9366414 | 0.82 | THRB (0.32) | — | |
| SCHEMBL6376881 | 0.79 | ADRB2 (0.35) | — | |
| SCHEMBL1484476 | 0.78 | — | — | |
| SCHEMBL9018986 | 0.78 | — | — | |
| SCHEMBL9019150 | 0.78 | — | — | |
| SCHEMBL6380132 | 0.75 | — | — | |
| SCHEMBL11875781 | 0.74 | — | — | |
| SCHEMBL26276 | 0.74 | — | — | |
| SCHEMBL10787307 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991013054-A1 | CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS | PFIZER LIMITED (GB) | 1991-09-05 | — | — | WO | disclosed |