⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19670531 | 0.81 | AR (0.32) | — | |
| SCHEMBL19365307 | 0.78 | ALOX5 (0.33) | — | |
| SCHEMBL19365510 | 0.73 | CHRNA3 (0.34) | — | |
| SCHEMBL19365669 | 0.67 | HTR3E (0.31) | — | |
| SCHEMBL16237549 | 0.65 | HTR3E (0.37) | — | |
| SCHEMBL19365524 | 0.64 | MEN1 (0.48) | — | |
| SCHEMBL17768153 | 0.63 | CHRNB2 (0.39) | — | |
| SCHEMBL16238828 | 0.63 | CHRNB2 (0.39) | — | |
| SCHEMBL16237975 | 0.63 | CHRNB2 (0.39) | — | |
| SCHEMBL29858005 | 0.62 | HTR3E (0.32) | — |
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-20180044338-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2018-02-15 | — | — | US | disclosed |