⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9851996 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11607403 | 0.97 | — | — | |
| SCHEMBL13195835 | 0.85 | — | — | |
| SCHEMBL574671 | 0.85 | — | — | |
| Water SCHEMBL876977 | 0.83 | TSHR (0.39) | — | |
| SCHEMBL3690869 | 0.83 | OPRM1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL9743269 | 0.83 | TSHR (0.39) | — | |
| SCHEMBL27779617 | 0.83 | GRIK1 (0.34) | — | |
| SCHEMBL7555243 | 0.81 | PLA2G1B (0.48) | — | |
| SCHEMBL7558504 | 0.81 | PLA2G1B (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0438311-A2 | Di- and tripeptide renin inhibitors | MERCK & CO. INC. (US) | 1991-07-24 | — | — | EP | disclosed |