⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14364635 | 0.94 | ALDH1A1 (0.31) | — | |
| SCHEMBL10066819 | 0.94 | ALDH1A1 (0.31) | — | |
| SCHEMBL10067135 | 0.88 | NPC1 (0.30) | — | |
| SCHEMBL14557908 | 0.84 | ELANE (0.34) | — | |
| SCHEMBL14557904 | 0.84 | ELANE (0.30) | — | |
| SCHEMBL14364634 | 0.83 | ELANE (0.33) | — | |
| SCHEMBL14364640 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL10067132 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL14364638 | 0.80 | PPARG (0.32) | — | |
| SCHEMBL14557927 | 0.79 | — | — |
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-20070281195-A1 | Block copolymer and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED | 2007-12-06 | — | — | US | disclosed |