⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL891398 | 1.00 | SIGMAR1 (0.50) | — | |
| SCHEMBL14810792 | 0.89 | HTT (0.46) | — | |
| SCHEMBL172619 | 0.89 | HTT (0.46) | — | |
| SCHEMBL18756518 | 0.85 | SIGMAR1 (0.40) | — | |
| SCHEMBL19936066 | 0.85 | SIGMAR1 (0.40) | — | |
| SCHEMBL18756399 | 0.85 | GNAI3 (0.43) | — | |
| SCHEMBL24638076 | 0.82 | EPHX1 (0.39) | — | |
| SCHEMBL8467849 | 0.81 | SIGMAR1 (0.47) | — | |
| SCHEMBL21099705 | 0.81 | SIGMAR1 (0.47) | — | |
| SCHEMBL24180077 | 0.79 | SIGMAR1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105451723-A | Oral drug delivery device and method of use thereof | UNIV IOWA RES FOUND | 2016-03-30 | — | — | CN | disclosed |