⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8467846 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL5547751 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL23643002 | 0.73 | — | — | |
| SCHEMBL5667890 | 0.73 | GABRR1 (0.31) | — | |
| Bromide SCHEMBL5546691 | 0.71 | TSHR (0.50) | — | |
| Bromide SCHEMBL5552303 | 0.71 | TSHR (0.50) | — | |
| Bromide SCHEMBL6760465 | 0.71 | TSHR (0.50) | — | |
| Bromide SCHEMBL6549989 | 0.71 | TSHR (0.44) | — | |
| Bromide SCHEMBL8466601 | 0.71 | TSHR (0.44) | — | |
| Bromide SCHEMBL5550949 | 0.71 | TSHR (0.44) | — |
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-3962248-A | PROCESS FOR MAKING 11-PIPERAZINO-DIAZEPINES, OXAZEPINES, THIAZEPINES AND AZEPINES | SANDOZ, INC. (US) | 1976-06-08 | — | — | US | disclosed |