⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19542989 | 0.81 | ADRB2 (0.31) | — | |
| SCHEMBL18016561 | 0.74 | ADRB2 (0.31) | — | |
| SCHEMBL22278963 | 0.72 | ADRB2 (0.31) | — | |
| SCHEMBL21275647 | 0.70 | NR3C1 (0.33) | — | |
| SCHEMBL25144632 | 0.68 | ADH1B (0.30) | — | |
| SCHEMBL25144614 | 0.67 | TSHR (0.40) | — | |
| SCHEMBL21788090 | 0.66 | ADRB2 (0.33) | — | |
| SCHEMBL21788145 | 0.66 | ADRB2 (0.33) | — | |
| SCHEMBL19542930 | 0.66 | NR2E1 (0.32) | — | |
| SCHEMBL18016573 | 0.66 | — | — |
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-20160237108-A1 | POLYNUCLEOTIDE MOLECULES AND USES THEREOF | ARES CAPITAL CORPORATION, AS AGENT | 2016-08-18 | — | — | US | disclosed |