⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3078599 | 0.59 | — | — | |
| SCHEMBL7547611 | 0.56 | — | — | |
| SCHEMBL1042486 | 0.49 | — | — | |
| Water SCHEMBL8875322 | 0.46 | — | — | |
| SCHEMBL708361 | 0.46 | — | — | |
| Water SCHEMBL4912877 | 0.39 | — | — | |
| Water SCHEMBL490048 | 0.39 | — | — | |
| SCHEMBL561897 | 0.37 | — | — | |
| SCHEMBL11602107 | 0.32 | — | — | |
| SCHEMBL3930260 | 0.32 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001032645-A1 | THE SYNTHESIS OF EXTENDED BIS(ETHYLENEDITHIO)TETRATHIAFULVALENE DERIVATIVES AND THEIR DIHYDROXYL ANALOGUES | TUBITAK-MARMARA RESEARCH CENTER (TR) | 2001-05-10 | — | — | WO | disclosed |