⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6839900 | 0.98 | — | — | |
| SCHEMBL21409500 | 0.90 | — | — | |
| SCHEMBL28026766 | 0.82 | — | — | |
| SCHEMBL1402528 | 0.80 | — | — | |
| SCHEMBL28026763 | 0.80 | — | — | |
| SCHEMBL28027261 | 0.78 | — | — | |
| SCHEMBL6839901 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL6844005 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL5998259 | 0.75 | — | — | |
| SCHEMBL6846309 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6770735-B2 | ORGANIC SULFIDES SUCH AS 1,1,3,3-TETRAKIS(MERCAPTOMETHYLTHIO) PROPANE, USED TO FORM RESINS HAVING HIGH REFRACTIVE INDEX, IMPACT STRENGTH AND HEAT REISTANCE, FOR USE AS LENSES, PRISMS OR OPTICAL FIBER AND FILTERS | MITSUI CHEMICALS, INC. (JP) | 2004-08-03 | — | — | US | disclosed |
| US-20030199668-A1 | Process for preparing a thiol compound | MITSUI CHEMICALS, INC. (JP) | 2003-10-23 | — | — | US | disclosed |