⚠ 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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL29079474 | 0.93 | — | — | |
| SCHEMBL23912121 | 0.64 | — | — | |
| SCHEMBL1876498 | 0.61 | — | — | |
| SCHEMBL172436 | 0.58 | — | — | |
| SCHEMBL15161170 | 0.56 | — | — | |
| SCHEMBL14414009 | 0.55 | — | — | |
| SCHEMBL2803767 | 0.54 | — | — | |
| SCHEMBL10726081 | 0.54 | — | — | |
| SCHEMBL450862 | 0.48 | — | — | |
| SCHEMBL13461879 | 0.42 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113387856-A | Synthetic method of 3-substituent diphenyl sulfide | 江西扬帆新材料有限公司 | 2021-09-14 | — | — | CN | disclosed |