⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3829822 | 0.75 | — | — | |
| SCHEMBL375891 | 0.69 | — | — | |
| SCHEMBL1185086 | 0.67 | — | — | |
| SCHEMBL1996349 | 0.65 | — | — | |
| SCHEMBL13993241 | 0.63 | — | — | |
| SCHEMBL2157345 | 0.63 | — | — | |
| SCHEMBL11372030 | 0.63 | — | — | |
| Isopropyl Alcohol SCHEMBL1281456 | 0.61 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL563810 | 0.61 | — | — | |
| Isopropyl Alcohol SCHEMBL18204506 | 0.61 | ALDH1A1 (0.60) | — |
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-0417454-A2 | Reduced size LHRH analogs | ABBOTT LABORATORIES (US) | 1991-03-20 | — | — | EP | claimed |
| US-5140009-A | Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders | TAP PHARMACEUTICALS, INC. (US) | 1992-08-18 | — | — | US | disclosed |
| EP-0417454-A2 | Reduced size LHRH analogs | ABBOTT LABORATORIES (US) | 1991-03-20 | — | — | EP | disclosed |