⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15017494 | 0.71 | — | — | |
| SCHEMBL440820 | 0.71 | — | — | |
| SCHEMBL329462 | 0.58 | — | — | |
| SCHEMBL6718535 | 0.58 | — | — | |
| SCHEMBL27482273 | 0.56 | — | — | |
| SCHEMBL27498624 | 0.56 | — | — | |
| SCHEMBL27482981 | 0.56 | — | — | |
| SCHEMBL27481533 | 0.56 | — | — | |
| SCHEMBL27481534 | 0.56 | — | — | |
| SCHEMBL27519272 | 0.56 | — | — |
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-4120866-A | REACTING AN AROMATIC COMPOUND WITH A SULFOXIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1978-10-17 | — | — | US | disclosed |