⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8299710 | 0.71 | — | — | |
| SCHEMBL8299709 | 0.71 | — | — | |
| SCHEMBL28977253 | 0.71 | FKBP1A (0.41) | — | |
| SCHEMBL2350177 | 0.68 | — | — | |
| SCHEMBL15720375 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL15720476 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL12503920 | 0.66 | — | — | |
| SCHEMBL7464146 | 0.63 | NPY1R (0.38) | — | |
| SCHEMBL5380472 | 0.63 | NPY1R (0.38) | — | |
| SCHEMBL5380476 | 0.63 | NPY1R (0.38) | — |
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-20110195929-A1 | COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS | SUMMIT CORPORATION PLC (GB) | 2011-08-11 | — | — | US | disclosed |