⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10545418 | 1.00 | — | — | |
| SCHEMBL10542838 | 1.00 | — | — | |
| SCHEMBL31181919 | 0.91 | ACE2 (0.41) | — | |
| SCHEMBL17287315 | 0.91 | ACE2 (0.44) | — | |
| SCHEMBL31187930 | 0.91 | ACE2 (0.44) | — | |
| SCHEMBL10546329 | 0.84 | — | — | |
| SCHEMBL10543361 | 0.84 | — | — | |
| SCHEMBL3117239 | 0.84 | — | — | |
| SCHEMBL25202051 | 0.83 | LMNA (0.35) | — | |
| SCHEMBL9060541 | 0.80 | LMNA (0.55) | — |
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-4822804-A | 5,6,7,-trinor-4,8-inter-m-phenylene 2-nor PGI2 derivatives and anti-ulcer, anti-thrombotic and anti-hypertensive pharmaceutical compositions containing them | TORAY INDUSTRIES, INC. (JP) | 1989-04-18 | — | — | US | disclosed |
| US-4564620-A | 5,6,7,-Trinor-4,8-inter-m-phenylene PGI2 derivatives and anti-ulcer, anti-thrombotic and anti-hypertensive pharmaceutical compositions containing them | TORAY INDUSTRIES, INC. (JP) | 1986-01-14 | — | — | US | disclosed |
| EP-0060640-B1 | 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | TORAY INDUSTRIES, INC. (JP) | 1985-11-13 | — | — | EP | disclosed |
| EP-0060640-A1 | 5,6,7-Trinor-4,8-inter-m-phenylene PGI derivatives and pharmaceutical compositions containing them | TORAY INDUSTRIES, INC. (JP) | 1982-09-22 | — | — | EP | disclosed |