⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9323547 | 0.80 | HPGD (0.62) | — | |
| SCHEMBL8766553 | 0.80 | — | — | |
| SCHEMBL28870275 | 0.80 | — | — | |
| Pyrogallol SCHEMBL6984242 | 0.73 | CA2 (0.75) | — | |
| Catechol SCHEMBL22028465 | 0.72 | CA2 (0.91) | — | |
| Catechol SCHEMBL21196902 | 0.71 | ALDH1A1 (0.71) | — | |
| Catechol SCHEMBL154583 | 0.71 | ALDH1A1 (0.71) | — | |
| Catechol SCHEMBL30530338 | 0.71 | ALDH1A1 (0.71) | — | |
| SCHEMBL224031 | 0.71 | CA1 (1.00) | — | |
| SCHEMBL5603402 | 0.71 | CA1 (1.00) | — |
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 |