⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8743237 | 1.00 | — | — | |
| SCHEMBL8743229 | 1.00 | — | — | |
| SCHEMBL30468236 | 0.98 | FAAH (0.48) | — | |
| Undecane SCHEMBL9436372 | 0.98 | FAAH (0.48) | — | |
| SCHEMBL9049010 | 0.98 | FAAH (0.48) | — | |
| SCHEMBL10689663 | 0.98 | FAAH (0.48) | — | |
| SCHEMBL9436371 | 0.98 | FAAH (0.48) | — | |
| SCHEMBL5143829 | 0.98 | FAAH (0.48) | — | |
| SCHEMBL17965707 | 0.98 | FAAH (0.48) | — | |
| SCHEMBL17965705 | 0.98 | FAAH (0.48) | — |
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-2009111830-A1 | CONJUGATED UNSATURATED COMPOUNDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2009-09-17 | — | — | WO | disclosed |