⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20878209 | 0.88 | ALDH1A1 (0.86) | — | |
| SCHEMBL8158965 | 0.84 | ALDH1A1 (1.00) | — | |
| SCHEMBL6848665 | 0.78 | — | — | |
| SCHEMBL327550 | 0.78 | — | — | |
| SCHEMBL8146532 | 0.78 | ALDH1A1 (0.54) | — | |
| SCHEMBL3228483 | 0.77 | — | — | |
| SCHEMBL18756794 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL8198503 | 0.75 | — | — | |
| SCHEMBL7094868 | 0.74 | ALDH1A1 (0.67) | — | |
| SCHEMBL11060991 | 0.74 | ALDH1A1 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0213313-A2 | Precursors and synthesis of methyl-9-oxo-11 alpha, 16-dihydroxy-16-vinyl-5-cis-13-trans prostadienoates | AMERICAN CYANAMID COMPANY (US) | 1987-03-11 | — | — | EP | claimed |
| WO-2006095888-A2 | PROCESS FOR PRODUCING A MIXTURE OF PARTICLES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-09-14 | — | — | WO | disclosed |
| US-4958037-A | HYPOTENSIVE, VASODILATION | AMERICAN CYANAMID COMPANY (US) | 1990-09-18 | — | — | US | disclosed |
| EP-0213313-A2 | Precursors and synthesis of methyl-9-oxo-11 alpha, 16-dihydroxy-16-vinyl-5-cis-13-trans prostadienoates | AMERICAN CYANAMID COMPANY (US) | 1987-03-11 | — | — | EP | disclosed |