⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8861822 | 0.78 | — | — | |
| SCHEMBL7255999 | 0.77 | HRH3 (0.31) | — | |
| SCHEMBL9823408 | 0.72 | — | — | |
| SCHEMBL4479231 | 0.71 | — | — | |
| SCHEMBL677722 | 0.70 | MAOB (0.31) | — | |
| SCHEMBL12311052 | 0.69 | — | — | |
| SCHEMBL6207934 | 0.69 | — | — | |
| SCHEMBL19945949 | 0.66 | — | — | |
| SCHEMBL6268963 | 0.66 | FFAR1 (0.33) | — | |
| SCHEMBL14610660 | 0.66 | — | — |
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-2006044364-A2 | SULFENIC ACID-REACTIVE COMPOUNDS AND THEIR METHODS OF SYNTHESIS AND USE IN DETECTION OR ISOLATION OF SULFENIC ACID-CONTAINING COMPOUNDS | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2006-04-27 | — | — | WO | disclosed |