⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9702609 | 1.00 | — | — | |
| SCHEMBL9703199 | 0.89 | PTGIR (0.33) | — | |
| SCHEMBL9703201 | 0.89 | PTGIR (0.33) | — | |
| SCHEMBL10354094 | 0.85 | PTGER3 (0.32) | — | |
| SCHEMBL10354093 | 0.85 | PTGER3 (0.32) | — | |
| SCHEMBL9705161 | 0.80 | — | — | |
| SCHEMBL9703086 | 0.80 | — | — | |
| SCHEMBL9318025 | 0.78 | PTGIR (0.35) | — | |
| SCHEMBL9319545 | 0.78 | PTGIR (0.35) | — | |
| SCHEMBL9318033 | 0.78 | PTGIR (0.35) | — |
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-5175338-A | Anticoagulants, vasodilation, antilipemic agents | TEIJIN LIMITED (JP) | 1992-12-29 | — | — | US | disclosed |
| US-4788319-A | PROSTAGLANDIN INTERMEDIATES | TEIJIN LIMITED (JP) | 1988-11-29 | — | — | US | disclosed |