⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16618542 | 1.00 | — | — | |
| SCHEMBL16639702 | 0.72 | — | — | |
| SCHEMBL1425989 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL7241067 | 0.69 | — | — | |
| SCHEMBL8172985 | 0.67 | — | — | |
| SCHEMBL20438417 | 0.67 | — | — | |
| SCHEMBL19155427 | 0.67 | — | — | |
| SCHEMBL16187287 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL9380704 | 0.67 | — | — | |
| SCHEMBL3029732 | 0.67 | — | — |
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-2015051141-A1 | METHODS FOR PREPARATION OF FLUORINATED SULFUR-CONTAINING COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2015-04-09 | — | — | WO | disclosed |