⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12736636 | 0.80 | — | — | |
| SCHEMBL10705515 | 0.78 | — | — | |
| SCHEMBL1931721 | 0.76 | APLNR (0.35) | — | |
| SCHEMBL4307105 | 0.72 | — | — | |
| SCHEMBL2263006 | 0.69 | APLNR (0.32) | — | |
| SCHEMBL1164326 | 0.69 | APLNR (0.32) | — | |
| SCHEMBL9745684 | 0.67 | — | — | |
| SCHEMBL4107225 | 0.67 | FAAH (0.35) | — | |
| SCHEMBL5880394 | 0.67 | FAAH (0.35) | — | |
| SCHEMBL5903659 | 0.67 | FAAH (0.35) | — |
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-20040259884-A1 | Cis-imidazolines | HALEY GREGORY JAY (US) | 2004-12-23 | — | — | US | disclosed |