⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9153045 | 0.72 | — | — | |
| SCHEMBL9367384 | 0.72 | — | — | |
| SCHEMBL11252256 | 0.72 | FAAH (0.53) | — | |
| SCHEMBL11082507 | 0.69 | — | — | |
| SCHEMBL7998629 | 0.69 | — | — | |
| SCHEMBL9270765 | 0.69 | — | — | |
| SCHEMBL19953103 | 0.67 | — | — | |
| SCHEMBL5204758 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL17941109 | 0.67 | — | — | |
| SCHEMBL2712727 | 0.67 | MEN1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0714897-B1 | FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY | BANYU PHARMA CO LTD (JP) | 2001-02-14 | — | — | EP | disclosed |
| EP-0714897-A1 | FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-06-05 | — | — | EP | disclosed |