⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14531061 | 0.72 | — | — | |
| SCHEMBL5403268 | 0.64 | NPC1 (0.40) | — | |
| SCHEMBL5390407 | 0.64 | NPC1 (0.40) | — | |
| SCHEMBL5403263 | 0.64 | NPC1 (0.40) | — | |
| SCHEMBL5894865 | 0.63 | — | — | |
| SCHEMBL10775025 | 0.61 | — | — | |
| SCHEMBL9498089 | 0.56 | — | — | |
| SCHEMBL16519489 | 0.56 | — | — | |
| SCHEMBL16572716 | 0.56 | — | — | |
| SCHEMBL22451052 | 0.56 | — | — |
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-4517202-A | HYPOTENSIVES AND ANTICOAGULANTS | MAY & BAKER LIMITED (GB) | 1985-05-14 | — | — | US | disclosed |