⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17778676 | 0.72 | NOS3 (0.32) | — | |
| SCHEMBL761712 | 0.72 | NOS3 (0.32) | — | |
| SCHEMBL22135601 | 0.72 | NOS3 (0.32) | — | |
| SCHEMBL12312818 | 0.70 | — | — | |
| SCHEMBL12312813 | 0.70 | — | — | |
| SCHEMBL804415 | 0.70 | — | — | |
| SCHEMBL12312809 | 0.68 | NPC1 (0.46) | — | |
| SCHEMBL12312808 | 0.68 | NPC1 (0.46) | — | |
| SCHEMBL20289043 | 0.66 | TAAR1 (0.36) | — | |
| SCHEMBL19221013 | 0.65 | ATM (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170355705-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-12-14 | — | — | US | disclosed |