⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7643232 | 0.77 | — | — | |
| SCHEMBL636269 | 0.74 | — | — | |
| SCHEMBL1275536 | 0.72 | — | — | |
| SCHEMBL1402638 | 0.71 | — | — | |
| SCHEMBL1402517 | 0.71 | — | — | |
| SCHEMBL1402869 | 0.71 | ROCK2 (0.34) | — | |
| SCHEMBL8156314 | 0.70 | TDP1 (0.41) | — | |
| SCHEMBL2768508 | 0.70 | — | — | |
| SCHEMBL172244 | 0.69 | — | — | |
| SCHEMBL1402546 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1138670-B1 | Polythiol, polymerizable composition, resin and lens, and process for preparing thiol compound | MITSUI CHEMICALS INC (JP) | 2005-05-25 | — | — | EP | disclosed |
| 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 |
| EP-1138670-A1 | Polythiol, polymerizable composition, resin and lens, and process for preparing thiol compound | Mitsui Chemicals, Inc. (JP) | 2001-10-04 | — | — | EP | disclosed |