⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3952623 | 0.65 | — | — | |
| SCHEMBL21994525 | 0.65 | — | — | |
| SCHEMBL20880014 | 0.63 | — | — | |
| SCHEMBL16848800 | 0.63 | — | — | |
| SCHEMBL19496546 | 0.63 | — | — | |
| SCHEMBL24689624 | 0.63 | CYP2A6 (0.38) | — | |
| SCHEMBL13789780 | 0.63 | — | — | |
| SCHEMBL126927 | 0.63 | — | — | |
| SCHEMBL13314083 | 0.63 | — | — | |
| SCHEMBL22067003 | 0.62 | — | — |
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-20170227545-A1 | REACTIVITY-BASED SCREENING FOR NATURAL PRODUCT DISCOVERY | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2017-08-10 | — | — | US | disclosed |
| US-20170227545-A1 | REACTIVITY-BASED SCREENING FOR NATURAL PRODUCT DISCOVERY | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2017-08-10 | — | — | US | disclosed |