⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2797787 | 0.85 | — | — | |
| SCHEMBL2796960 | 0.80 | GABRA1 (0.34) | — | |
| SCHEMBL13262612 | 0.80 | — | — | |
| SCHEMBL13262657 | 0.79 | — | — | |
| SCHEMBL2798145 | 0.76 | DHODH (0.32) | — | |
| SCHEMBL595227 | 0.75 | — | — | |
| SCHEMBL595415 | 0.75 | — | — | |
| SCHEMBL2795929 | 0.75 | GABRA1 (0.34) | — | |
| SCHEMBL596417 | 0.75 | TRPV3 (0.30) | — | |
| SCHEMBL2799982 | 0.75 | NR3C1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2204365-A1 | ALKYLSULFONE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2010-07-07 | — | — | EP | disclosed |
| US-20100168136-A1 | ALKYLSULFONE DERIVATIVES | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2010-07-01 | — | — | US | disclosed |
| US-20100168136-A1 | ALKYLSULFONE DERIVATIVES | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2010-07-01 | — | — | US | disclosed |