⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL420697 | 0.71 | — | — | |
| SCHEMBL94635 | 0.69 | — | — | |
| SCHEMBL3036922 | 0.69 | CYP3A4 (0.57) | — | |
| SCHEMBL714349 | 0.69 | — | — | |
| SCHEMBL7305078 | 0.69 | THRB (0.38) | — | |
| SCHEMBL29351116 | 0.68 | — | — | |
| SCHEMBL6187 | 0.68 | — | — | |
| SCHEMBL5167521 | 0.68 | CYP3A4 (1.00) | — | |
| SCHEMBL6084537 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL17110965 | 0.67 | CD44 (0.58) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |