⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1515656 | 0.72 | — | — | |
| SCHEMBL187238 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL933589 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL20721135 | 0.69 | — | — | |
| SCHEMBL16449054 | 0.62 | — | — | |
| SCHEMBL21555285 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL22362682 | 0.61 | — | — | |
| SCHEMBL17404495 | 0.60 | — | — | |
| SCHEMBL1790446 | 0.60 | — | — | |
| SCHEMBL1792526 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016079710-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-05-26 | — | — | WO | disclosed |