⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4649529 | 0.86 | — | — | |
| SCHEMBL2397958 | 0.77 | — | — | |
| SCHEMBL18418957 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL10598521 | 0.77 | — | — | |
| SCHEMBL10597472 | 0.77 | — | — | |
| SCHEMBL7149208 | 0.75 | — | — | |
| SCHEMBL17070005 | 0.75 | — | — | |
| SCHEMBL14158882 | 0.75 | THRB (0.32) | — | |
| SCHEMBL12488040 | 0.73 | — | — | |
| SCHEMBL51692 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6335143-B1 | Resist composition containing specific cross-linking agent | WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) | 2002-01-01 | — | — | US | disclosed |
| EP-0887706-A1 | Resist composition containing specific cross-linking agent | WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) | 1998-12-30 | — | — | EP | disclosed |