⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL901473 | 0.72 | — | — | |
| SCHEMBL8651133 | 0.72 | — | — | |
| SCHEMBL2012194 | 0.70 | — | — | |
| SCHEMBL1244817 | 0.70 | — | — | |
| SCHEMBL5830986 | 0.67 | KDM4E (0.42) | — | |
| SCHEMBL584802 | 0.67 | IDH1 (0.54) | — | |
| Kojic Acid SCHEMBL5011817 | 0.67 | TYR (1.00) | — | |
| Kojic Acid SCHEMBL36895 | 0.67 | TYR (1.00) | — | |
| SCHEMBL12261475 | 0.65 | TYR (0.45) | — | |
| SCHEMBL10314046 | 0.65 | TYR (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6503898-B1 | Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-07 | — | — | US | disclosed |