⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10031019 | 0.86 | PKM (0.51) | — | |
| SCHEMBL12919515 | 0.85 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL933819 | 0.82 | — | — | |
| SCHEMBL1107413 | 0.80 | — | — | |
| SCHEMBL14393427 | 0.80 | — | — | |
| SCHEMBL1107385 | 0.78 | — | — | |
| SCHEMBL2642121 | 0.78 | — | — | |
| SCHEMBL2095527 | 0.78 | — | — | |
| SCHEMBL10741403 | 0.78 | — | — | |
| SCHEMBL7499483 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120142636-A1 | NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME | BRISTOL-MYERS SQUIBB COMPANY | 2012-06-07 | — | — | US | disclosed |
| CN-101506174-B | Caspase inhibitors based on pyridazinone scaffold | LG LIFE SCIENCES LTD | 2012-05-02 | — | — | CN | disclosed |
| CN-102227431-A | Indole and indoline derivatives and methods of use thereof | ABBOTT LAB | 2011-10-26 | — | — | CN | disclosed |
| CN-101506174-A | Caspase inhibitors based on pyridazinone scaffold | LG LIFE SCIENCES LTD (KR) | 2009-08-12 | — | — | CN | disclosed |