⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL112179 | 0.80 | — | — | |
| SCHEMBL8807072 | 0.80 | ADRA2A (0.51) | — | |
| Hydrochloric Acid SCHEMBL1690425 | 0.78 | ADRA2A (0.50) | — | |
| Hydrochloric Acid SCHEMBL6689660 | 0.78 | ADRA2A (0.50) | — | |
| SCHEMBL28353595 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4060690 | 0.78 | — | — | |
| Water SCHEMBL27801507 | 0.78 | ADRA2A (0.47) | — | |
| SCHEMBL23408952 | 0.77 | — | — | |
| SCHEMBL12945682 | 0.76 | — | — | |
| SCHEMBL947803 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5321032-A | Peptide compounds and pharmaceutical compositions thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-14 | — | — | US | disclosed |
| EP-0553218-A1 | INDOLE DERIVATIVES | RECKITT & COLMAN PRODUCTS LIMITED (GB) | 1993-08-04 | — | — | EP | disclosed |
| EP-0515681-A1 | PEPTIDE COMPOUND | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1992-12-02 | — | — | EP | disclosed |