⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11053936 | 0.77 | — | — | |
| SCHEMBL207542 | 0.77 | GABRA1 (0.32) | — | |
| SCHEMBL3454007 | 0.74 | TRPV4 (0.31) | — | |
| SCHEMBL1069182 | 0.74 | — | — | |
| SCHEMBL19468906 | 0.74 | GABRA1 (0.30) | — | |
| SCHEMBL1067881 | 0.73 | — | — | |
| SCHEMBL1079342 | 0.73 | ACHE (0.31) | — | |
| SCHEMBL1079312 | 0.70 | PDE2A (0.34) | — | |
| SCHEMBL19771 | 0.69 | — | — | |
| SCHEMBL1078010 | 0.68 | CA1 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115916756-A | Sulfone derivative | 豪夫迈·罗氏有限公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-110156646-B | Method for synthesizing difluoroalkyl or difluoromethyl sulfur (selenium) -containing compound | 台州学院 | 2021-02-26 | — | — | CN | disclosed |
| CN-107106547-A | Ethyl N-Boc piperidinyl pyrazolopyridinones as Janus kinase inhibitors | 默沙东公司 | 2017-08-29 | — | — | CN | disclosed |
| WO-2011006886-A2 | AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV | BASF SE (DE) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010149758-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2010-12-29 | — | — | WO | disclosed |