⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19458192 | 0.70 | — | — | |
| SCHEMBL25451021 | 0.68 | — | — | |
| SCHEMBL7259267 | 0.65 | HTR2A (0.30) | — | |
| SCHEMBL17581107 | 0.59 | — | — | |
| SCHEMBL19046592 | 0.59 | — | — | |
| SCHEMBL2379897 | 0.59 | — | — | |
| SCHEMBL14557461 | 0.56 | CYP2C19 (0.33) | — | |
| SCHEMBL10985269 | 0.56 | — | — | |
| SCHEMBL12410331 | 0.56 | CYP2C19 (0.33) | — | |
| SCHEMBL5405661 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7943787-B2 | Preparation of pentafluorosulfanyl (SF5) heterocycles: pyrroles and thiophenes | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2011-05-17 | — | — | US | disclosed |
| US-20110040103-A1 | PREPARATION OF PENTAFLUOROSULFANYL (SF5) HETEROCYCLES: PYRROLES AND THIOPHENES | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2011-02-17 | — | — | US | disclosed |