⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL62727 | 0.92 | — | — | |
| SCHEMBL102939 | 0.92 | — | — | |
| SCHEMBL56680 | 0.92 | — | — | |
| SCHEMBL1671295 | 0.89 | — | — | |
| SCHEMBL10609809 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL242771 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL242772 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL549259 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1334662 | 0.86 | — | — | |
| Cyclopentanamine SCHEMBL8890577 | 0.86 | TSHR (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997020837-A1 | PROCESS FOR THE PREPARATION OF BENZOTHIOPHENE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-06-12 | — | — | WO | disclosed |