⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19630493 | 0.79 | — | — | |
| SCHEMBL83095 | 0.74 | — | — | |
| SCHEMBL18807943 | 0.70 | — | — | |
| SCHEMBL1900701 | 0.67 | — | — | |
| SCHEMBL17518468 | 0.67 | — | — | |
| SCHEMBL663126 | 0.67 | — | — | |
| SCHEMBL777476 | 0.64 | — | — | |
| SCHEMBL24816625 | 0.61 | — | — | |
| SCHEMBL8937830 | 0.61 | — | — | |
| SCHEMBL23637533 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5717038-A | CROSSLINKING RUBBER WITH 1,2-BIS(N,N-DIBENZYLTHIOCARBAMOYLDISULFIDO)ETHANE | BAYER AKTIENGESELLSCHAFT (DE) | 1998-02-10 | — | — | US | disclosed |