⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30102631 | 0.80 | NAAA (0.58) | — | |
| SCHEMBL30102640 | 0.80 | NAAA (0.58) | — | |
| SCHEMBL17289585 | 0.80 | TRPA1 (0.36) | — | |
| SCHEMBL13623248 | 0.79 | TRPA1 (0.43) | — | |
| SCHEMBL6950047 | 0.79 | — | — | |
| SCHEMBL18245139 | 0.77 | CYP1A2 (0.31) | — | |
| SCHEMBL9472178 | 0.72 | — | — | |
| SCHEMBL1741062 | 0.72 | — | — | |
| SCHEMBL483904 | 0.71 | — | — | |
| SCHEMBL4779439 | 0.71 | — | — |
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-20180148472-A1 | AFFINITY-ASSISTED PROTEIN MODIFICATION AND RECYCLING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2018-05-31 | — | — | US | disclosed |