⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5250523 | 0.76 | — | — | |
| SCHEMBL7306208 | 0.74 | KDM4E (0.35) | — | |
| SCHEMBL7297753 | 0.66 | — | — | |
| SCHEMBL14353675 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL7692011 | 0.64 | PARP1 (0.48) | — | |
| SCHEMBL1538700 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL7303976 | 0.64 | PARP1 (0.31) | — | |
| SCHEMBL18378574 | 0.64 | CYP1A2 (0.35) | — | |
| SCHEMBL18241857 | 0.64 | KDM4E (0.43) | — | |
| SCHEMBL7307294 | 0.63 | CA1 (0.31) | — |
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 |