⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL78022 | 1.00 | — | — | |
| SCHEMBL2212030 | 1.00 | — | — | |
| SCHEMBL5308251 | 0.88 | — | — | |
| Dimethyl Sulfoxide SCHEMBL27557207 | 0.74 | — | — | |
| Butane SCHEMBL11634303 | 0.73 | — | — | |
| Dimethyl Sulfoxide SCHEMBL1197318 | 0.73 | — | — | |
| SCHEMBL842876 | 0.70 | — | — | |
| SCHEMBL18976585 | 0.70 | — | — | |
| SCHEMBL40833 | 0.70 | — | — | |
| SCHEMBL14412967 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2366699-A1 | 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF | Asahi Kasei Pharma Corporation (JP) | 2011-09-21 | — | — | EP | disclosed |
| US-20110178072-A1 | STEREOSPECIFICITY OF METHYLSULFINYL REDUCTION | NATIONAL INSTITUTES OF HEALTH | 2011-07-21 | — | — | US | disclosed |