⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL318323 | 0.78 | TP53 (0.31) | — | |
| SCHEMBL9770544 | 0.67 | — | — | |
| SCHEMBL316973 | 0.67 | — | — | |
| SCHEMBL19039719 | 0.65 | TP53 (0.32) | — | |
| SCHEMBL18623760 | 0.61 | IDO1 (0.31) | — | |
| SCHEMBL6009078 | 0.59 | — | — | |
| SCHEMBL14752064 | 0.59 | — | — | |
| SCHEMBL19600896 | 0.59 | TP53 (0.33) | — | |
| SCHEMBL6009888 | 0.59 | — | — | |
| SCHEMBL6664052 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9755277-B2 | Electrolyte, electrochemical device, secondary cell, and module | DAIKIN INDUSTRIES, LTD. (JP) | 2017-09-05 | — | — | US | disclosed |