⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6739910 | 0.81 | — | — | |
| SCHEMBL6627066 | 0.74 | — | — | |
| SCHEMBL10757852 | 0.74 | — | — | |
| SCHEMBL28278691 | 0.70 | — | — | |
| SCHEMBL5643510 | 0.70 | — | — | |
| SCHEMBL13888749 | 0.70 | — | — | |
| SCHEMBL16549823 | 0.70 | PDXK (0.38) | — | |
| SCHEMBL13888748 | 0.69 | — | — | |
| SCHEMBL2322892 | 0.69 | — | — | |
| SCHEMBL14035356 | 0.67 | KDM4E (0.39) | — |
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 |