⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17381336 | 0.83 | ALDH1A1 (0.42) | — | |
| SCHEMBL16281516 | 0.76 | — | — | |
| SCHEMBL261739 | 0.76 | — | — | |
| SCHEMBL10146424 | 0.76 | — | — | |
| SCHEMBL1784052 | 0.76 | HIF1A (0.40) | — | |
| SCHEMBL5160007 | 0.76 | — | — | |
| SCHEMBL3850484 | 0.76 | — | — | |
| SCHEMBL10736358 | 0.76 | LMNA (0.46) | — | |
| Propane SCHEMBL1389491 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL3408019 | 0.74 | HIF1A (0.45) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613782-B2 | For treating and/or preventing endothelin dependent conditions, e.g. cardio- and cerebro-vascular disorders such as hypertension, vasoconstriction, congestive heart failure, cerebral disorders, respiratory system disorders | NOVARTIS AG (CH) | 2003-09-02 | — | — | US | disclosed |
| US-6423727-B1 | Certain thiol inhibitors of endothelin-converting enzyme | NOVARTIS AG (CH) | 2002-07-23 | — | — | US | disclosed |
| US-20020082218-A1 | Certain thiol inhibitors of endothelin-converting enzyme | LOMBAERT STEPHANE DE (US) | 2002-06-27 | — | — | US | disclosed |
| EP-1073674-A1 | THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | Novartis AG (CH) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999055726-A1 | CERTAIN THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | NOVARTIS AG (CH) | 1999-11-04 | — | — | WO | disclosed |