⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL89524 | 0.67 | — | — | |
| SCHEMBL16554341 | 0.67 | — | — | |
| SCHEMBL8911551 | 0.67 | — | — | |
| SCHEMBL16981313 | 0.65 | — | — | |
| SCHEMBL2827545 | 0.62 | GAA (0.39) | — | |
| SCHEMBL3533516 | 0.62 | — | — | |
| SCHEMBL1659954 | 0.62 | — | — | |
| SCHEMBL19398119 | 0.59 | AXL (0.34) | — | |
| SCHEMBL1092516 | 0.56 | — | — | |
| SCHEMBL138271 | 0.54 | — | — |
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-2018075776-A1 | COLORIMETRIC SENSORS AND METHODS OF USING COLORIMETRIC SENSORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2018-04-26 | — | — | WO | disclosed |