⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7404469 | 0.85 | NR4A2 (0.58) | — | |
| SCHEMBL7907655 | 0.74 | KMT2A (0.48) | — | |
| SCHEMBL7907648 | 0.74 | KMT2A (0.48) | — | |
| SCHEMBL7901074 | 0.73 | APP (0.57) | — | |
| SCHEMBL8547551 | 0.73 | — | — | |
| SCHEMBL8436928 | 0.72 | L3MBTL1 (0.55) | — | |
| SCHEMBL16032417 | 0.72 | — | — | |
| SCHEMBL16032420 | 0.72 | — | — | |
| SCHEMBL8119563 | 0.72 | — | — | |
| SCHEMBL9585819 | 0.71 | PARP15 (0.50) | — |
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-0805802-A1 | SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS | RHONE-POULENC RORER LIMITED (GB) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022978-A1 | SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS | RHONE POULENC RORER LIMITED (GB) | 1996-08-01 | — | — | WO | disclosed |