⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1263872 | 0.82 | — | — | |
| SCHEMBL647574 | 0.82 | — | — | |
| SCHEMBL12470377 | 0.81 | — | — | |
| SCHEMBL12470219 | 0.77 | — | — | |
| SCHEMBL4385901 | 0.76 | PPARA (0.32) | — | |
| SCHEMBL11508167 | 0.76 | CHRM1 (0.31) | — | |
| SCHEMBL11251982 | 0.74 | — | — | |
| SCHEMBL28615842 | 0.72 | — | — | |
| SCHEMBL11281288 | 0.71 | — | — | |
| SCHEMBL17853406 | 0.71 | ACLY (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5371220-A | Bicyclo-heterocyclic intermediates for cephalosporin compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-12-06 | — | — | US | disclosed |
| US-5232918-A | Bactericides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-08-03 | — | — | US | disclosed |
| US-5019570-A | Antibioics | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-05-28 | — | — | US | disclosed |
| US-4535080-A | HYPOTENSIVE AGENTS, ANTIGLYCEMIC AGENTS, ANTIMIGRAINE AGENTS AND ANTIDEPRESSANTS | PHARMUKA LABORATOIRES (FR) | 1985-08-13 | — | — | US | disclosed |