⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6445109 | 0.77 | — | — | |
| SCHEMBL1402638 | 0.68 | — | — | |
| SCHEMBL1402517 | 0.68 | — | — | |
| SCHEMBL1402869 | 0.68 | ROCK2 (0.34) | — | |
| SCHEMBL636269 | 0.67 | — | — | |
| SCHEMBL172244 | 0.67 | — | — | |
| SCHEMBL1402546 | 0.66 | — | — | |
| SCHEMBL4863637 | 0.65 | — | — | |
| SCHEMBL1275536 | 0.65 | — | — | |
| SCHEMBL7182004 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6458917-B2 | CURABLE; POLYSULFIDES | MITSUI CHEMICALS, INC. (JP) | 2002-10-01 | — | — | US | disclosed |
| US-20010002413-A1 | Polymerizable composition | MORIJIRI HIROYUKI (JP) | 2001-05-31 | — | — | US | disclosed |
| US-6204311-B1 | (THIO)EPOXY COMPOUND HAVING AT LEAST ONE INTRAMOLECULAR DISULFIDE BOND AND A CURING CATALYST. | MITSUI CHEMICALS, INC. (JP) | 2001-03-20 | — | — | US | disclosed |