⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6077791 | 1.00 | — | — | |
| SCHEMBL6076771 | 0.87 | RIPK1 (0.33) | — | |
| SCHEMBL6076777 | 0.87 | RIPK1 (0.33) | — | |
| SCHEMBL6077676 | 0.86 | RIPK1 (0.37) | — | |
| SCHEMBL6078045 | 0.86 | RIPK1 (0.37) | — | |
| SCHEMBL6450854 | 0.84 | SLC6A2 (0.34) | — | |
| SCHEMBL6078106 | 0.84 | SLC6A2 (0.34) | — | |
| SCHEMBL6078853 | 0.83 | SLC6A4 (0.36) | — | |
| SCHEMBL6076301 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL6878066 | 0.83 | SLC6A4 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109186-B2 | 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-09-19 | — | — | US | disclosed |
| US-20040110804-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-06-10 | — | — | US | disclosed |
| WO-2004004657-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-01-15 | — | — | WO | disclosed |