⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16159742 | 0.95 | — | — | |
| SCHEMBL14509975 | 0.73 | — | — | |
| SCHEMBL321091 | 0.60 | — | — | |
| SCHEMBL4444767 | 0.57 | — | — | |
| SCHEMBL29834861 | 0.56 | — | — | |
| SCHEMBL10417889 | 0.55 | — | — | |
| SCHEMBL15869348 | 0.55 | — | — | |
| SCHEMBL5640 | 0.55 | — | — | |
| SCHEMBL21477482 | 0.55 | — | — | |
| SCHEMBL823252 | 0.53 | — | — |
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-20110114511-A1 | APPARATUS FOR DETECTING VOLATILE ORGANIC COMPOUNDS AND RELATED METHODS | INTELLECTUAL VENTURES ASIA PTE. LTD. | 2011-05-19 | — | — | US | disclosed |