⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10486015 | 1.00 | — | — | |
| SCHEMBL199785 | 1.00 | — | — | |
| SCHEMBL10486244 | 0.94 | — | — | |
| SCHEMBL9972999 | 0.94 | — | — | |
| SCHEMBL31644987 | 0.94 | — | — | |
| SCHEMBL7875963 | 0.94 | — | — | |
| SCHEMBL910818 | 0.72 | — | — | |
| SCHEMBL5511095 | 0.72 | — | — | |
| SCHEMBL2938716 | 0.72 | — | — | |
| SCHEMBL5511096 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2308861-B1 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | EISAI R&D MAN CO LTD (JP) | 2017-03-01 | — | — | EP | disclosed |
| US-4331688-A | Therapeutic method for inhibiting gastric secretion by administration of 15-deoxy-16-hydroxy prostaglandins | MILES LABORATORIES, INC. (US) | 1982-05-25 | — | — | US | disclosed |
| US-4275224-A | BRONCHODIALATORS AND ANTI-GASTRIC SECRETION AGENTS | MILES LABORATORIES, INC. (US) | 1981-06-23 | — | — | US | disclosed |