⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7325611 | 0.93 | — | — | |
| SCHEMBL7326055 | 0.92 | DPP4 (0.30) | — | |
| SCHEMBL7265751 | 0.89 | TRHR (0.32) | — | |
| SCHEMBL7273287 | 0.83 | DPP4 (0.34) | — | |
| SCHEMBL7333426 | 0.83 | DPP4 (0.34) | — | |
| SCHEMBL7323922 | 0.82 | TRHR (0.37) | — | |
| Bromide SCHEMBL7330456 | 0.82 | DPP4 (0.33) | — | |
| SCHEMBL7333027 | 0.81 | DPP4 (0.32) | — | |
| SCHEMBL7325603 | 0.76 | TRHR (0.40) | — | |
| SCHEMBL7333371 | 0.76 | TRHR (0.40) | — |
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-0384380-A2 | Novel peptide derivatives and their pharmaceutical use | JAPAN TOBACCO INC. (JP) | 1990-08-29 | — | — | EP | disclosed |