⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14645339 | 0.82 | HTR1A (0.36) | — | |
| SCHEMBL19185637 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL633249 | 0.71 | — | — | |
| SCHEMBL4621135 | 0.70 | HTR1A (0.33) | — | |
| SCHEMBL26582082 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL25009776 | 0.69 | — | — | |
| SCHEMBL546952 | 0.67 | — | — | |
| SCHEMBL9204096 | 0.67 | EPHX1 (0.39) | — | |
| SCHEMBL2937545 | 0.67 | EPHX1 (0.39) | — | |
| SCHEMBL27743520 | 0.67 | EPHX1 (0.39) | — |
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-2019152537-A1 | TISSUE-ADAPTIVE MATERIALS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2019-08-08 | — | — | WO | disclosed |