⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27595692 | 0.86 | USP2 (0.33) | — | |
| SCHEMBL14539288 | 0.82 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL18572391 | 0.77 | — | — | |
| SCHEMBL72928 | 0.74 | — | — | |
| SCHEMBL7153955 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL5408929 | 0.70 | — | — | |
| SCHEMBL15865737 | 0.70 | TSHR (0.47) | — | |
| SCHEMBL9416284 | 0.70 | TSHR (0.47) | — | |
| SCHEMBL21440733 | 0.70 | RAB9A (0.33) | — | |
| SCHEMBL17570462 | 0.70 | RAB9A (0.33) | — |
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-1882981-A1 | POSITIVE-WORKING RESIST COMPOSITION AND METHOD FOR RESIST PATTERN FORMATION | TOKYO OHKA KOGYO CO., LTD. (JP) | 2008-01-30 | — | — | EP | disclosed |