⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9372728 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL15424530 | 0.78 | GAA (0.31) | — | |
| SCHEMBL21129427 | 0.71 | — | — | |
| SCHEMBL13575310 | 0.71 | — | — | |
| SCHEMBL11653475 | 0.71 | — | — | |
| SCHEMBL11541023 | 0.69 | CETP (0.31) | — | |
| SCHEMBL8791307 | 0.64 | SIRT2 (0.30) | — | |
| SCHEMBL16081287 | 0.62 | — | — | |
| SCHEMBL14976427 | 0.59 | — | — | |
| SCHEMBL2180808 | 0.58 | — | — |
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-0855389-B1 | A 3,7-dithiaprostanoic acid derivative | ONO PHARMACEUTICAL CO (JP) | 2002-06-05 | — | — | EP | disclosed |
| US-5892099-A | AUTOIMMUNE DISEASE, BONE DISORDERS, LIVER DAMAGE, CARDIOVASCULAR DISORDERS | ONO PHARMACEUTICAL CO., LTD. (JP) | 1999-04-06 | — | — | US | disclosed |
| EP-0855389-A2 | A 3,7-dithiaprostanoic acid derivative | ONO PHARMACEUTICAL CO., LTD. (JP) | 1998-07-29 | — | — | EP | disclosed |