⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1785796 | 1.00 | — | — | |
| SCHEMBL1782987 | 0.77 | — | — | |
| SCHEMBL2763043 | 0.77 | TRPA1 (0.33) | — | |
| SCHEMBL823131 | 0.76 | TRPA1 (0.52) | — | |
| SCHEMBL15087807 | 0.76 | TRPA1 (0.52) | — | |
| SCHEMBL14547843 | 0.74 | — | — | |
| SCHEMBL17683677 | 0.74 | — | — | |
| SCHEMBL17865321 | 0.74 | — | — | |
| SCHEMBL9694708 | 0.74 | TRPA1 (0.50) | — | |
| SCHEMBL220029 | 0.74 | TRPA1 (0.50) | — |
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-20120142006-A1 | MASSIVE PARALLEL METHOD FOR DECODING DNA AND RNA | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2012-06-07 | — | — | US | disclosed |
| US-7935726-B1 | Tricyclic pyrones | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2011-05-03 | — | — | US | disclosed |