⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16178896 | 0.80 | — | — | |
| SCHEMBL16178988 | 0.80 | — | — | |
| SCHEMBL8446515 | 0.78 | ASAH1 (0.35) | — | |
| SCHEMBL12221862 | 0.77 | — | — | |
| SCHEMBL844192 | 0.76 | — | — | |
| SCHEMBL17208748 | 0.74 | — | — | |
| SCHEMBL21779362 | 0.74 | — | — | |
| SCHEMBL20309412 | 0.73 | TRPA1 (0.33) | — | |
| SCHEMBL18515591 | 0.72 | — | — | |
| SCHEMBL8424312 | 0.72 | ALDH1A1 (0.32) | — |
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-2015163952-A1 | ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF | THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) | 2015-10-29 | — | — | WO | disclosed |