⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23441676 | 0.95 | — | — | |
| SCHEMBL25422393 | 0.95 | — | — | |
| SCHEMBL170451 | 0.95 | — | — | |
| SCHEMBL21624982 | 0.91 | — | — | |
| SCHEMBL19616458 | 0.88 | — | — | |
| SCHEMBL16353913 | 0.87 | — | — | |
| SCHEMBL15360498 | 0.86 | — | — | |
| Hydrogen Sulfide SCHEMBL17010766 | 0.86 | — | — | |
| SCHEMBL15360420 | 0.86 | — | — | |
| SCHEMBL25453842 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013069965-A1 | METHOD FOR MANUFACTURING POLYTHIOL COMPOUND, AND POLYMERIZATION COMPOSITE FOR OPTICAL MATERIAL COMPRISING SAME | 주식회사 케이오씨솔루션 (KR) | 2013-05-16 | — | — | WO | disclosed |
| WO-2013069965-A1 | METHOD FOR MANUFACTURING POLYTHIOL COMPOUND, AND POLYMERIZATION COMPOSITE FOR OPTICAL MATERIAL COMPRISING SAME | 주식회사 케이오씨솔루션 (KR) | 2013-05-16 | — | — | WO | disclosed |