⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7132092 | 0.86 | ALDH1A1 (0.37) | — | |
| SCHEMBL4535974 | 0.80 | — | — | |
| SCHEMBL7757940 | 0.80 | — | — | |
| SCHEMBL6048081 | 0.78 | — | — | |
| SCHEMBL6407156 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL15524747 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL6751741 | 0.76 | — | — | |
| SCHEMBL28565937 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL11113804 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL7607573 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0784108-A1 | Size-free tangled multifilament yarn and method for its production | Akzo Nobel N.V. (NL) | 1997-07-16 | — | — | EP | disclosed |