⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7111518 | 0.66 | — | — | |
| SCHEMBL5571024 | 0.66 | — | — | |
| SCHEMBL2821699 | 0.62 | — | — | |
| SCHEMBL24489482 | 0.56 | — | — | |
| SCHEMBL20350217 | 0.56 | CYP1A2 (0.37) | — | |
| SCHEMBL25067436 | 0.56 | — | — | |
| SCHEMBL14515191 | 0.56 | — | — | |
| SCHEMBL1262344 | 0.56 | — | — | |
| SCHEMBL537454 | 0.56 | — | — | |
| SCHEMBL4452933 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8283481-B2 | Inhibitors of a 9-cis epoxycarotenoid dioxygenase | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2012-10-09 | — | — | US | disclosed |
| US-20100160166-A1 | Inhibitors of a 9-cis epoxycarotenoid dioxygenase | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2010-06-24 | — | — | US | disclosed |