⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20552562 | 0.72 | — | — | |
| SCHEMBL6908118 | 0.71 | — | — | |
| SCHEMBL7379533 | 0.70 | — | — | |
| SCHEMBL6390835 | 0.68 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL10414692 | 0.68 | ALDH1A1 (0.41) | — | |
| SCHEMBL8743592 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL14135896 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL22776097 | 0.63 | — | — | |
| SCHEMBL22776098 | 0.63 | — | — | |
| SCHEMBL544392 | 0.62 | — | — |
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-1028716-A1 | METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION | WARNER-LAMBERT COMPANY (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1998025597-A2 | METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION | WARNER-LAMBERT COMPANY (US) | 1998-06-18 | — | — | WO | disclosed |